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

Systemtic Name: phenethyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(sec-butylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-3-17(2)25-23(30)19-9-11-20(12-10-19)26-24(32)27-21(28)13-14-22(29)31-16-15-18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H,25,30)(H2,26,27,28,32)