(6S)-N-(4-bromophenyl)-6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-N-(4-bromophenyl)-6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N-(4-bromophenyl)-6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[anilino(sulfanylidene)methyl]amino]-N-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N-(4-bromophenyl)-6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N-(4-bromophenyl)-6-methyl-2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22BrN3OS2 MolecularWeight: 500.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H22BrN3OS2/c1-14-7-12-18-19(13-14)30-22(27-23(29)26-16-5-3-2-4-6-16)20(18)21(28)25-17-10-8-15(24)9-11-17/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,28)(H2,26,27,29)/t14-/m0/s1