3-phenylpropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H27N3O3S2/c25-16-19-18-11-4-5-12-20(18)32-23(19)27-24(31)26-21(28)13-6-14-22(29)30-15-7-10-17-8-2-1-3-9-17/h1-3,8-9H,4-7,10-15H2,(H2,26,27,28,31)