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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S2/c1-2-3-6-20-18(27)22-9-7-21(8-10-22)17(24)16-15(19)13-5-4-12(23(25)26)11-14(13)28-16/h4-5,11H,2-3,6-10H2,1H3,(H,20,27)