methyl 4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-4-5-14-6-12-17(13-7-14)21-20(27)23-22-18(24)15-8-10-16(11-9-15)19(25)26-2/h6-13H,3-5H2,1-2H3,(H,22,24)(H2,21,23,27)