1-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-3-(4-nitrophenyl)thiourea Formula: C22H23BrN4O4S MolecularWeight: 519.41142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C22H23BrN4O4S/c1-31-18-8-4-3-7-17(18)19(23)20(21(28)26-13-5-2-6-14-26)25-22(32)24-15-9-11-16(12-10-15)27(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,24,25,32)/b20-19+