2-(dimethylcarbamoylamino)-4-[(4-methylphenyl)methylsulfanyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(dimethylcarbamoylamino)-4-[(4-methylphenyl)methylsulfanyl]thiophene-3-carboxylic acid Openeye Name: 2-(dimethylcarbamoylamino)-4-(p-tolylmethylsulfanyl)thiophene-3-carboxylic acid CAS Name: 2-[[dimethylamino(oxo)methyl]amino]-4-[(4-methylphenyl)methylthio]-3-thiophenecarboxylic acid IUPAC Name: 2-(dimethylcarbamoylamino)-4-[(4-methylphenyl)methylsulfanyl]thiophene-3-carboxylic acid Traditional Name: 2-(dimethylcarbamoylamino)-4-[(4-methylbenzyl)thio]-3-thenoic acid Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CSC(=C2C(=O)O)NC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CSC(=C2C(=O)O)NC(=O)N(C)C

InChI

InChI=1S/C16H18N2O3S2/c1-10-4-6-11(7-5-10)8-22-12-9-23-14(13(12)15(19)20)17-16(21)18(2)3/h4-7,9H,8H2,1-3H3,(H,17,21)(H,19,20)