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

Systemtic Name: 4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethoxy]benzenecarbothioamide Openeye Name: 4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethoxy]benzenecarbothioamide CAS Name: 4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]benzenecarbothioamide IUPAC Name: 4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]benzenecarbothioamide Traditional Name: 4-[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=C(C=C2)C(=S)N

Isomeric SMILES

CN1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H21N3O2S/c1-17-7-2-8-18(10-9-17)14(19)11-20-13-5-3-12(4-6-13)15(16)21/h3-6H,2,7-11H2,1H3,(H2,16,21)