3-(1,3-benzothiazol-2-yl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-chloro-5-nitro-benzyl)-N-methyl-propionamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16ClN3O3S/c1-21(11-12-10-13(22(24)25)6-7-14(12)19)18(23)9-8-17-20-15-4-2-3-5-16(15)26-17/h2-7,10H,8-9,11H2,1H3