N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)OC)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)OC)/O2)C

InChI

InChI=1S/C24H21N3O4S/c1-13-10-14(2)21-19(11-13)26-23(31-21)18-12-16(6-9-20(18)28)25-24(32)27-22(29)15-4-7-17(30-3)8-5-15/h4-12,26H,1-3H3,(H2,25,27,29,32)/b23-18+