N-[4-[[4-[(2-ethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[(2-ethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(2-ethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-ethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(2-ethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(o-phenetylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H30N4O2S/c1-3-29-22-8-5-4-7-21(22)25-23(30)27-14-6-13-26(15-16-27)17-19-9-11-20(12-10-19)24-18(2)28/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,28)(H,25,30)