2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CN(C)C(C)C2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CN(C)[C@H](C)C2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-12-9-16(24(26)27)17(28-4)10-15(12)21-19(25)11-23(3)13(2)20-22-14-7-5-6-8-18(14)29-20/h5-10,13H,11H2,1-4H3,(H,21,25)/t13-/m1/s1