1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C27H27N5O3S2 MolecularWeight: 533.66498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C27H27N5O3S2/c1-19-25(26(33)32(30(19)2)22-11-4-3-5-12-22)29-27(36)28-21-14-16-23(17-15-21)37(34,35)31-18-8-10-20-9-6-7-13-24(20)31/h3-7,9,11-17H,8,10,18H2,1-2H3,(H2,28,29,36)