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

Systemtic Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S2/c1-18-22(20-9-5-4-6-10-20)23(25(30)32-3)24(34-18)27-26(33)29-14-12-28(13-15-29)17-19-8-7-11-21(16-19)31-2/h4-11,16H,12-15,17H2,1-3H3,(H,27,33)