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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

InChI

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