2-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide

Systemtic Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide Openeye Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]benzenecarbothioamide IUPAC Name: 2-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]benzenecarbothioamide Traditional Name: 2-[2-keto-2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thiobenzamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)COC2=CC=CC=C2C(=S)N

Isomeric SMILES

CN1CCCN(CC1)C(=O)COC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C15H21N3O2S/c1-17-7-4-8-18(10-9-17)14(19)11-20-13-6-3-2-5-12(13)15(16)21/h2-3,5-6H,4,7-11H2,1H3,(H2,16,21)