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

Systemtic Name: methyl 2-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21ClN4O5S3 MolecularWeight: 553.07394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C22H21ClN4O5S3/c1-3-13-11-15(21(29)32-2)19(34-13)24-22(33)26-8-6-25(7-9-26)20(28)18-17(23)14-5-4-12(27(30)31)10-16(14)35-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,24,33)