(E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-15-6-4-9-18-20(15)22-21(29-18)24(13-12-23(2)3)19(26)11-10-16-7-5-8-17(14-16)25(27)28/h4-11,14H,12-13H2,1-3H3/b11-10+