3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propanamide Openeye Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propanamide CAS Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propanamide IUPAC Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propanamide Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-nitrophenyl)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O3S/c1-21(12-18-20-15-7-2-3-8-16(15)26-18)10-9-17(23)19-13-5-4-6-14(11-13)22(24)25/h2-8,11H,9-10,12H2,1H3,(H,19,23)