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

Systemtic Name: methyl 2-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H21ClN4O5S3 MolecularWeight: 601.11674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H21ClN4O5S3/c1-36-25(33)18-14-19(15-5-3-2-4-6-15)39-23(18)28-26(37)30-11-9-29(10-12-30)24(32)22-21(27)17-8-7-16(31(34)35)13-20(17)38-22/h2-8,13-14H,9-12H2,1H3,(H,28,37)