methyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C25H24N4O4S/c1-33-23(31)16-15-22(30)29-25(34)28-21-10-6-5-9-20(21)24(32)27-19-13-11-18(12-14-19)26-17-7-3-2-4-8-17/h2-14,26H,15-16H2,1H3,(H,27,32)(H2,28,29,30,34)