N-(1-phenyl-3-sulfanyl-propan-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-phenyl-3-sulfanyl-propan-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-phenyl-3-sulfanylpropan-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-benzyl-2-mercapto-ethyl)-1,4-diazepane-1-carboxamide Formula: C15H23N3OS MolecularWeight: 293.42762

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)NC(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CNCCN(C1)C(=O)NC(CC2=CC=CC=C2)CS

InChI

InChI=1S/C15H23N3OS/c19-15(18-9-4-7-16-8-10-18)17-14(12-20)11-13-5-2-1-3-6-13/h1-3,5-6,14,16,20H,4,7-12H2,(H,17,19)