methyl 4-(dipropylamino)-3-[(2-ethylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-(dipropylamino)-3-[(2-ethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-(dipropylamino)-3-[(2-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-(dipropylamino)-3-[[(2-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(dipropylamino)-3-[(2-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-(dipropylamino)-3-[(2-ethylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2CC

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2CC

InChI

InChI=1S/C23H31N3O2S/c1-5-14-26(15-6-2)21-13-12-18(22(27)28-4)16-20(21)25-23(29)24-19-11-9-8-10-17(19)7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H2,24,25,29)