2-[(phenylmethyl)amino]-N-[(phenylmethyl)carbamothioyl]cyclohexene-1-carboxamide

Systemtic Name: 2-[(phenylmethyl)amino]-N-[(phenylmethyl)carbamothioyl]cyclohexene-1-carboxamide Openeye Name: 2-(benzylamino)-N-(benzylcarbamothioyl)cyclohexene-1-carboxamide CAS Name: 2-[(phenylmethyl)amino]-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-cyclohexenecarboxamide IUPAC Name: 2-(benzylamino)-N-(benzylcarbamothioyl)cyclohexene-1-carboxamide Traditional Name: 2-(benzylamino)-N-(benzylthiocarbamoyl)cyclohexene-1-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)NC(=S)NCC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=C(C1)C(=O)NC(=S)NCC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c26-21(25-22(27)24-16-18-11-5-2-6-12-18)19-13-7-8-14-20(19)23-15-17-9-3-1-4-10-17/h1-6,9-12,23H,7-8,13-16H2,(H2,24,25,26,27)