methyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H29N5O2S2 MolecularWeight: 483.64936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H29N5O2S2/c1-16-20(17(2)27(3)26-16)15-28-10-12-29(13-11-28)24(32)25-22-19(23(30)31-4)14-21(33-22)18-8-6-5-7-9-18/h5-9,14H,10-13,15H2,1-4H3,(H,25,32)