4-methyl-3-nitro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide Openeye Name: N-[4-[2-(allylamino)thiazol-4-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[4-[2-(prop-2-enylamino)-4-thiazolyl]phenyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide Traditional Name: N-[4-[2-(allylamino)thiazol-4-yl]phenyl]-4-methyl-3-nitro-benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c1-3-10-21-20-23-17(12-28-20)14-6-8-16(9-7-14)22-19(25)15-5-4-13(2)18(11-15)24(26)27/h3-9,11-12H,1,10H2,2H3,(H,21,23)(H,22,25)