4-(3-methoxypropylcarbamothioylamino)-N-(3-sulfamoylphenyl)benzamide

Systemtic Name: 4-(3-methoxypropylcarbamothioylamino)-N-(3-sulfamoylphenyl)benzamide Openeye Name: 4-(3-methoxypropylcarbamothioylamino)-N-(3-sulfamoylphenyl)benzamide CAS Name: 4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-N-(3-sulfamoylphenyl)benzamide IUPAC Name: 4-(3-methoxypropylcarbamothioylamino)-N-(3-sulfamoylphenyl)benzamide Traditional Name: 4-(3-methoxypropylthiocarbamoylamino)-N-(3-sulfamoylphenyl)benzamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

COCCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C18H22N4O4S2/c1-26-11-3-10-20-18(27)22-14-8-6-13(7-9-14)17(23)21-15-4-2-5-16(12-15)28(19,24)25/h2,4-9,12H,3,10-11H2,1H3,(H,21,23)(H2,19,24,25)(H2,20,22,27)