methyl 2-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23ClN4O5S3 MolecularWeight: 567.10052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C23H23ClN4O5S3/c1-4-14-12(2)35-20(17(14)22(30)33-3)25-23(34)27-9-7-26(8-10-27)21(29)19-18(24)15-6-5-13(28(31)32)11-16(15)36-19/h5-6,11H,4,7-10H2,1-3H3,(H,25,34)