4-(1,4-diazepan-1-ylcarbonylamino)-5-phenyl-pentanethioate

Systemtic Name: 4-(1,4-diazepan-1-ylcarbonylamino)-5-phenyl-pentanethioate Openeye Name: 4-(1,4-diazepane-1-carbonylamino)-5-phenyl-pentanethioate CAS Name: 4-[[1,4-diazepan-1-yl(oxo)methyl]amino]-5-phenylpentanethioate IUPAC Name: 4-(1,4-diazepane-1-carbonylamino)-5-phenylpentanethioate Traditional Name: 4-(1,4-diazepane-1-carbonylamino)-5-phenyl-thiovalerate Formula: C17H24N3O2S- MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CNCCN(C1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S/c21-16(23)8-7-15(13-14-5-2-1-3-6-14)19-17(22)20-11-4-9-18-10-12-20/h1-3,5-6,15,18H,4,7-13H2,(H,19,22)(H,21,23)/p-1