2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21ClN2O2S2 MolecularWeight: 408.96524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C19H21ClN2O2S2/c20-12-7-9-13(10-8-12)25-11-3-6-16(23)22-19-17(18(21)24)14-4-1-2-5-15(14)26-19/h7-10H,1-6,11H2,(H2,21,24)(H,22,23)