(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O3S/c1-2-3-4-13-6-9-16-18(12-13)28-20(22-16)23-19(25)10-7-14-5-8-15(21)17(11-14)24(26)27/h5-12H,2-4H2,1H3,(H,22,23,25)/b10-7+