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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-methylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-isobutyl-piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-methylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2-methylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-isobutyl-piperazine-1-carbothioamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CNC(=S)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-11(2)10-20-18(27)22-7-5-21(6-8-22)17(24)16-15(19)13-4-3-12(23(25)26)9-14(13)28-16/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,27)