N-(2,2-diphenylethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,2-diphenylethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,2-diphenylethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2,2-diphenylethyl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,2-diphenylethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,2-diphenylethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C25H31N5S MolecularWeight: 433.61214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5S/c1-28-16-13-26-24(28)20-29-14-8-15-30(18-17-29)25(31)27-19-23(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-13,16,23H,8,14-15,17-20H2,1H3,(H,27,31)