N-(2-methoxy-5-methyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(2-methoxy-5-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(2-methoxy-5-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17-9-10-20(25-2)19(15-17)22-21(26)24-12-6-11-23(13-14-24)16-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,22,26)