(1,3-benzothiazol-2-yl-chloranyl-nitro-phenyl-propyl-$l^{6}-sulfanyl)methanethioamide

Systemtic Name: (1,3-benzothiazol-2-yl-chloranyl-nitro-phenyl-propyl-$l^{6}-sulfanyl)methanethioamide Openeye Name: (1,3-benzothiazol-2-yl-chloro-nitro-phenyl-propyl-$l^{6}-sulfanyl)thioformamide CAS Name: (1,3-benzothiazol-2-yl-chloro-nitro-phenyl-propyl-$l^{6}-sulfanyl)methanethioamide IUPAC Name: (1,3-benzothiazol-2-yl-chloro-nitro-phenyl-propyl-$l^{6}-sulfanyl)methanethioamide Traditional Name: (1,3-benzothiazol-2-yl-chloro-nitro-phenyl-propyl-persulfuranyl)thioformamide Formula: C17H18ClN3O2S3 MolecularWeight: 427.99172

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(C1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)(C(=S)N)([N+](=O)[O-])Cl

Isomeric SMILES

CCCS(C1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)(C(=S)N)([N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O2S3/c1-2-12-26(18,16(19)24,21(22)23,13-8-4-3-5-9-13)17-20-14-10-6-7-11-15(14)25-17/h3-11H,2,12H2,1H3,(H2,19,24)