N-[[3-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[3-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O3S2/c1-14(2)12-17(22)20-18(25)19-15-8-7-9-16(13-15)26(23,24)21-10-5-3-4-6-11-21/h7-9,13-14H,3-6,10-12H2,1-2H3,(H2,19,20,22,25)