(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-3-5-15-8-10-17-18(13-15)27-20(21-17)22-19(24)11-9-14-6-4-7-16(12-14)23(25)26/h4,6-13H,2-3,5H2,1H3,(H,21,22,24)/b11-9+