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

Systemtic Name: N-tert-butyl-2-[4-[(4-methylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(p-tolylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-methylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-methylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(p-tolylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C19H30N4OS MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30N4OS/c1-15-6-8-16(9-7-15)20-18(25)23-11-5-10-22(12-13-23)14-17(24)21-19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,25)(H,21,24)