phenethyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H25N3O4S2/c23-20(28)19-15-8-4-5-9-16(15)31-21(19)25-22(30)24-17(26)10-11-18(27)29-13-12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H2,23,28)(H2,24,25,26,30)