methyl 5-(diethylcarbamoyl)-2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C30H36N4O3S2 MolecularWeight: 564.76184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C30H36N4O3S2/c1-5-32(6-2)28(35)26-21(3)24(29(36)37-4)27(39-26)31-30(38)34-19-17-33(18-20-34)25(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,25H,5-6,17-20H2,1-4H3,(H,31,38)