propyl 4-[(4-butylphenyl)carbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-butylphenyl)carbamothioylamino]benzoate Openeye Name: propyl 4-[(4-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-butylanilino)-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-butylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-butylphenyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-3-5-6-16-7-11-18(12-8-16)22-21(26)23-19-13-9-17(10-14-19)20(24)25-15-4-2/h7-14H,3-6,15H2,1-2H3,(H2,22,23,26)