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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O3S2/c17-10-1-4-12(5-2-10)24-8-7-15(21)19-16-18-13-6-3-11(20(22)23)9-14(13)25-16/h1-6,9H,7-8H2,(H,18,19,21)