N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(4-nitroanilino)butanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(4-nitroanilino)butanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(4-nitroanilino)butanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(4-nitroanilino)butyramide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14(20-22-17-6-3-4-7-18(17)28-20)23(2)19(25)8-5-13-21-15-9-11-16(12-10-15)24(26)27/h3-4,6-7,9-12,14,21H,5,8,13H2,1-2H3