1-(4-isothiocyanatophenyl)-3-[2-methyl-2-[[2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]propyl]thiourea

Systemtic Name: 1-(4-isothiocyanatophenyl)-3-[2-methyl-2-[[2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]propyl]thiourea Openeye Name: 1-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-methyl-propyl]-3-(4-isothiocyanatophenyl)thiourea CAS Name: 1-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]-3-(4-isothiocyanatophenyl)thiourea IUPAC Name: 1-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]-3-(4-isothiocyanatophenyl)thiourea Traditional Name: 1-[2-[[2-hydroxy-2-(8-hydroxy-2-keto-1H-quinolin-5-yl)ethyl]amino]-2-methyl-propyl]-3-(4-isothiocyanatophenyl)thiourea Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC=C(C=C1)N=C=S)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC=C(C=C1)N=C=S)NCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O

InChI

InChI=1S/C23H25N5O3S2/c1-23(2,12-24-22(33)27-15-5-3-14(4-6-15)25-13-32)26-11-19(30)16-7-9-18(29)21-17(16)8-10-20(31)28-21/h3-10,19,26,29-30H,11-12H2,1-2H3,(H,28,31)(H2,24,27,33)