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

Systemtic Name: ethyl 5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methylsulfonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-mesylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O4S3/c1-4-27-19(24)17-16(15-8-6-5-7-9-15)14(2)29-18(17)21-20(28)22-10-12-23(13-11-22)30(3,25)26/h5-9H,4,10-13H2,1-3H3,(H,21,28)