4-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide

Systemtic Name: 4-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide Openeye Name: 4-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide CAS Name: 4-(1-azepanylsulfonylmethyl)benzenecarbothioamide IUPAC Name: 4-(azepan-1-ylsulfonylmethyl)benzenecarbothioamide Traditional Name: 4-(azepan-1-ylsulfonylmethyl)thiobenzamide Formula: C14H20N2O2S2 MolecularWeight: 312.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H20N2O2S2/c15-14(19)13-7-5-12(6-8-13)11-20(17,18)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H2,15,19)