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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(4-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(4-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-p-cumenyl-piperazine-1-carbothioamide Formula: C23H23ClN4O3S2 MolecularWeight: 503.03672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O3S2/c1-14(2)15-3-5-16(6-4-15)25-23(32)27-11-9-26(10-12-27)22(29)21-20(24)18-8-7-17(28(30)31)13-19(18)33-21/h3-8,13-14H,9-12H2,1-2H3,(H,25,32)