propyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

InChI

InChI=1S/C21H25N3O4S2/c1-3-11-28-17(26)10-9-16(25)23-21(29)24-20-18(19(22)27)13(2)15(30-20)12-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H2,22,27)(H2,23,24,25,29)