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

Systemtic Name: propyl 4-oxidanylidene-4-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S/c1-2-18-35-25(33)17-16-24(32)31-27(36)30-23-11-7-6-10-22(23)26(34)29-21-14-12-20(13-15-21)28-19-8-4-3-5-9-19/h3-15,28H,2,16-18H2,1H3,(H,29,34)(H2,30,31,32,36)