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

Systemtic Name: butyl 4-[(4-butylphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-butylanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-butylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-butylphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-5-7-17-8-12-19(13-9-17)23-22(27)24-20-14-10-18(11-15-20)21(25)26-16-6-4-2/h8-15H,3-7,16H2,1-2H3,(H2,23,24,27)