N-(3-chloranyl-4-methyl-phenyl)-4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C21H18Cl2N4O3S2 MolecularWeight: 509.42862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O3S2/c1-12-2-3-13(10-16(12)22)24-21(31)26-8-6-25(7-9-26)20(28)19-18(23)15-5-4-14(27(29)30)11-17(15)32-19/h2-5,10-11H,6-9H2,1H3,(H,24,31)