methyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H17N3O4S/c1-29-22(28)16-8-6-14(7-9-16)20(27)26-23(31)24-17-12-10-15(11-13-17)21-25-18-4-2-3-5-19(18)30-21/h2-13H,1H3,(H2,24,26,27,31)