4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-2-sulfamoyl-phenyl]butanamide

Systemtic Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-2-sulfamoyl-phenyl]butanamide Openeye Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-2-sulfamoyl-phenyl]butanamide CAS Name: 4-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-2-sulfamoylphenyl]butanamide IUPAC Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-2-sulfamoylphenyl]butanamide Traditional Name: 4-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-2-sulfamoyl-phenyl]butyramide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC2=CC=CC(=C2S(=O)(=O)N)CCCC(=O)N

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC2=CC=CC(=C2S(=O)(=O)N)CCCC(=O)N

InChI

InChI=1S/C17H22N4O3S2/c18-15(22)11-5-7-12-6-4-10-14(16(12)26(19,23)24)21-17(25)20-13-8-2-1-3-9-13/h2,4,6,8-10H,1,3,5,7,11H2,(H2,18,22)(H2,19,23,24)(H2,20,21,25)