N-tert-butyl-2-[4-[(2-methylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(2-methylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(o-tolylcarbamothioyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-methylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(o-tolylthiocarbamoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30N4OS/c1-15-8-5-6-9-16(15)20-18(25)23-11-7-10-22(12-13-23)14-17(24)21-19(2,3)4/h5-6,8-9H,7,10-14H2,1-4H3,(H,20,25)(H,21,24)/p+1