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

Systemtic Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C26H26N4O2S2/c1-16-14-17(2)30(29-16)15-19-10-12-21(13-11-19)27-26(33)28-24-23(25(31)32-4)22(18(3)34-24)20-8-6-5-7-9-20/h5-14H,15H2,1-4H3,(H2,27,28,33)