N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O3S2/c1-9(24-12-5-3-11(4-6-12)20(22)23)15(21)19-16-18-13-7-2-10(17)8-14(13)25-16/h2-9H,1H3,(H,18,19,21)