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

Systemtic Name: methyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4S2/c1-11-13(10-12-6-4-3-5-7-12)28-18(16(11)17(20)25)22-19(27)21-14(23)8-9-15(24)26-2/h3-7H,8-10H2,1-2H3,(H2,20,25)(H2,21,22,23,27)