S-pyrrolidin-1-yl 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioate

Systemtic Name: S-pyrrolidin-1-yl 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioate Openeye Name: S-pyrrolidin-1-yl 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioate CAS Name: 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioic acid S-(1-pyrrolidinyl) ester IUPAC Name: S-pyrrolidin-1-yl 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioate Traditional Name: 3-(benzenecarbonothioylamino)-4,5,6,7-tetrahydroisobenzothiophene-1-carbothioic acid S-pyrrolidino ester Formula: C20H22N2OS3 MolecularWeight: 402.59648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(SC(=C2C1)C(=O)SN3CCCC3)NC(=S)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(SC(=C2C1)C(=O)SN3CCCC3)NC(=S)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2OS3/c23-20(26-22-12-6-7-13-22)17-15-10-4-5-11-16(15)19(25-17)21-18(24)14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2,(H,21,24)