N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C17H18N2O2S2/c18-16(20)10-22-14-8-4-2-6-12(14)19-17(21)15-9-11-5-1-3-7-13(11)23-15/h2,4,6,8-9H,1,3,5,7,10H2,(H2,18,20)(H,19,21)