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

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S/c1-2-34-24(32)17-16-23(31)30-26(35)29-22-11-7-6-10-21(22)25(33)28-20-14-12-19(13-15-20)27-18-8-4-3-5-9-18/h3-15,27H,2,16-17H2,1H3,(H,28,33)(H2,29,30,31,35)