N-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[3-(1-azepanylsulfonyl)-4-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O4S2/c1-14-8-9-15(20-19(27)21-18(23)16-7-6-12-26-16)13-17(14)28(24,25)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3,(H2,20,21,23,27)