N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-p-cumenyl-acrylamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-16(2)18-6-3-17(4-7-18)5-10-22(29)25-23(32)27-13-11-26(12-14-27)21-9-8-19(28(30)31)15-20(21)24/h3-10,15-16H,11-14H2,1-2H3,(H,25,29,32)