methyl 5-methyl-4-phenyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-18-22(20-9-5-3-6-10-20)23(25(30)31-2)24(33-18)28-26(32)27-21-13-11-19(12-14-21)17-29-15-7-4-8-16-29/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H2,27,28,32)