methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S2/c1-10-13(11-7-5-4-6-8-11)14(18(26)27-3)17(29-10)22-19(28)21-12-9-24(2)23-15(12)16(20)25/h4-9H,1-3H3,(H2,20,25)(H2,21,22,28)