phenethyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O4S/c30-23(15-16-24(31)33-18-17-19-9-3-1-4-10-19)29-26(34)28-22-14-8-7-13-21(22)25(32)27-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,32)(H2,28,29,30,34)