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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3S2/c1-14(15-5-3-2-4-6-15)24-22(31)26-11-9-25(10-12-26)21(28)20-19(23)17-8-7-16(27(29)30)13-18(17)32-20/h2-8,13-14H,9-12H2,1H3,(H,24,31)