(6S)-2-[(3-methoxyphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(3-methoxyphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(3-methoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(3-methoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-(m-anisoylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H21N3O3S2/c1-10-6-7-13-14(8-10)27-18(15(13)16(20)23)22-19(26)21-17(24)11-4-3-5-12(9-11)25-2/h3-5,9-10H,6-8H2,1-2H3,(H2,20,23)(H2,21,22,24,26)/t10-/m0/s1