3-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoate

Systemtic Name: 3-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoate Openeye Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(4-ethylbenzoyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(4-ethylbenzoyl)thiocarbamoylamino]-4-methyl-benzoate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C18H18N2O3S/c1-3-12-5-8-13(9-6-12)16(21)20-18(24)19-15-10-14(17(22)23)7-4-11(15)2/h4-10H,3H2,1-2H3,(H,22,23)(H2,19,20,21,24)/p-1