4-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S2/c18-11-3-6-13(7-4-11)25-9-1-2-16(22)20-17-19-14-8-5-12(21(23)24)10-15(14)26-17/h3-8,10H,1-2,9H2,(H,19,20,22)