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

Systemtic Name: N-phenyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-phenyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenyl-2-(phenylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS2/c26-20(23-15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)28-21(19)25-22(27)24-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,26)(H2,24,25,27)