4-ethanoyl-N-phenethyl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-phenethyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-phenethyl-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-phenethyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-phenethyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-phenethyl-1,4-diazepane-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H23N3OS/c1-14(20)18-10-5-11-19(13-12-18)16(21)17-9-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H,17,21)