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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-12(18(23)19-13-6-5-7-14(10-13)22(24)25)21(2)11-17-20-15-8-3-4-9-16(15)26-17/h3-10,12H,11H2,1-2H3,(H,19,23)