methyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)OC)C)C(=O)OC

InChI

InChI=1S/C21H24N4O3S2/c1-12-9-17(20(26)28-5)19(30-12)23-21(29)22-18-13(2)24-25(14(18)3)11-15-7-6-8-16(10-15)27-4/h6-10H,11H2,1-5H3,(H2,22,23,29)