4-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(2-oxidanylideneazepan-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(2-oxo-1-azepanyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(2-oxoazepan-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(2-ketoazepan-1-yl)methyl]thiobenzamide Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H18N2OS/c15-14(18)12-7-5-11(6-8-12)10-16-9-3-1-2-4-13(16)17/h5-8H,1-4,9-10H2,(H2,15,18)