3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(2,3-dichlorophenyl)-2-furyl]-N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide CAS Name: 3-[5-(2,3-dichlorophenyl)-2-furanyl]-N-[[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(2,3-dichlorophenyl)-2-furyl]-N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acrylamide Formula: C29H21Cl2N3O4S MolecularWeight: 578.46574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)O2)C

InChI

InChI=1S/C29H21Cl2N3O4S/c1-15-12-16(2)27-22(13-15)33-28(38-27)19-9-6-17(14-23(19)35)32-29(39)34-25(36)11-8-18-7-10-24(37-18)20-4-3-5-21(30)26(20)31/h3-14,33H,1-2H3,(H2,32,34,36,39)