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

Systemtic Name: phenethyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S2/c1-17-20(16-19-10-6-3-7-11-19)35-25(23(17)24(27)32)29-26(34)28-21(30)12-13-22(31)33-15-14-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3,(H2,27,32)(H2,28,29,30,34)