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

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]prop-2-enamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-3-p-cumenyl-acrylamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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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-])N4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C28H35N5O3S/c1-21(2)23-9-6-22(7-10-23)8-13-27(34)29-28(37)32-18-16-30(17-19-32)24-11-12-25(33(35)36)26(20-24)31-14-4-3-5-15-31/h6-13,20-21H,3-5,14-19H2,1-2H3,(H,29,34,37)