methyl 5-methyl-2-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-isopropylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(2-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(o-cumenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2C(C)C)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-10(2)12-7-5-6-8-14(12)18-17(22)19-15-13(16(20)21-4)9-11(3)23-15/h5-10H,1-4H3,(H2,18,19,22)