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

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]prop-2-enamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-p-cumenyl-acrylamide Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C27H33N5O4S/c1-20(2)22-6-3-21(4-7-22)5-10-26(33)28-27(37)31-13-11-29(12-14-31)23-8-9-24(32(34)35)25(19-23)30-15-17-36-18-16-30/h3-10,19-20H,11-18H2,1-2H3,(H,28,33,37)