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

Systemtic Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide Openeye Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide CAS Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide IUPAC Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzenecarbothioamide Traditional Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]thiobenzamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H21N3O2S2/c1-16-7-4-8-17(10-9-16)21(18,19)11-12-5-2-3-6-13(12)14(15)20/h2-3,5-6H,4,7-11H2,1H3,(H2,15,20)