3-(2,4-dichlorophenyl)-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(2,4-dichlorophenyl)-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-(2,4-dichlorophenyl)-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: 3-(2,4-dichlorophenyl)-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-(2,4-dichlorophenyl)-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide Formula: C27H17Cl2N3O2S MolecularWeight: 518.41378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C=CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C=CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H17Cl2N3O2S/c28-18-10-8-17(22(29)14-18)9-13-25(33)32-27(35)30-19-11-12-24-23(15-19)31-26(34-24)21-7-3-5-16-4-1-2-6-20(16)21/h1-15H,(H2,30,32,33,35)