1-[3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenyl-thiourea Openeye Name: 1-[3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenyl-thiourea CAS Name: 1-[3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenylthiourea IUPAC Name: 1-[3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenylthiourea Traditional Name: 1-[3-cyano-5-keto-7,7-dimethyl-4-phenyl-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinolin-2-yl]-3-phenyl-thiourea Formula: C31H29N5O3S2 MolecularWeight: 583.72366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)NC(=S)NC4=CC=CC=C4)C#N)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)NC(=S)NC4=CC=CC=C4)C#N)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C31H29N5O3S2/c1-31(2)17-25-28(26(37)18-31)27(20-9-5-3-6-10-20)24(19-32)29(35-30(40)34-21-11-7-4-8-12-21)36(25)22-13-15-23(16-14-22)41(33,38)39/h3-16,27H,17-18H2,1-2H3,(H2,33,38,39)(H2,34,35,40)