N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)NC(=S)NC(=O)C2CCCCC2)S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)NC(=S)NC(=O)C2CCCCC2)S(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H34N4O4S2/c1-4-29(5-2)21-16-15-19(26-25(34)27-24(30)18-11-7-6-8-12-18)17-23(21)35(31,32)28-20-13-9-10-14-22(20)33-3/h9-10,13-18,28H,4-8,11-12H2,1-3H3,(H2,26,27,30,34)