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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C22H17ClN4O3S2 MolecularWeight: 484.97838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O3S2/c23-15-4-7-18(8-5-15)31-12-10-21(28)26(14-16-3-1-2-11-24-16)22-25-19-9-6-17(27(29)30)13-20(19)32-22/h1-9,11,13H,10,12,14H2