N-(3-pyrrolidin-1-ylcarbothioyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenecarbothioamide

Systemtic Name: N-(3-pyrrolidin-1-ylcarbothioyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenecarbothioamide Openeye Name: N-[3-(pyrrolidine-1-carbothioyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzenecarbothioamide CAS Name: N-[3-[1-pyrrolidinyl(sulfanylidene)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzenecarbothioamide IUPAC Name: N-[3-(pyrrolidine-1-carbothioyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzenecarbothioamide Traditional Name: N-[3-(pyrrolidine-1-carbothioyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiobenzamide Formula: C20H22N2S3 MolecularWeight: 386.59708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)C3=CC=CC=C3)C(=S)N4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)C3=CC=CC=C3)C(=S)N4CCCC4

InChI

InChI=1S/C20H22N2S3/c23-18(14-8-2-1-3-9-14)21-19-17(20(24)22-12-6-7-13-22)15-10-4-5-11-16(15)25-19/h1-3,8-9H,4-7,10-13H2,(H,21,23)