dimethyl 5-[(4-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-butylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-butylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-4-5-6-14-7-9-17(10-8-14)22-21(28)23-18-12-15(19(24)26-2)11-16(13-18)20(25)27-3/h7-13H,4-6H2,1-3H3,(H2,22,23,28)