N-(2-ethoxyphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(2-ethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

InChI

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