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

Systemtic Name: N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(o-tolyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(o-tolyl)-2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS2/c1-15-9-5-7-13-18(15)25-21(27)20-17-12-6-8-14-19(17)29-22(20)26-23(28)24-16-10-3-2-4-11-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H,25,27)(H2,24,26,28)