3-[(4-methylphenyl)carbamoylamino]-5-propan-2-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-yl-thiophene-2-carboxylic acid Openeye Name: 5-isopropyl-3-(p-tolylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylanilino)-oxomethyl]amino]-5-propan-2-yl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylic acid Traditional Name: 5-isopropyl-3-(p-tolylcarbamoylamino)-2-thenoic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=C(SC(=C2)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=C(SC(=C2)C(C)C)C(=O)O

InChI

InChI=1S/C16H18N2O3S/c1-9(2)13-8-12(14(22-13)15(19)20)18-16(21)17-11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,19,20)(H2,17,18,21)