1-(2-methoxyphenyl)-3-[3-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]thiourea

Systemtic Name: 1-(2-methoxyphenyl)-3-[3-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]thiourea Openeye Name: 1-(2-methoxyphenyl)-3-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxo-propyl]thiourea CAS Name: 1-(2-methoxyphenyl)-3-[3-[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropyl]thiourea IUPAC Name: 1-(2-methoxyphenyl)-3-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]thiourea Traditional Name: 1-[3-keto-3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]propyl]-3-(2-methoxyphenyl)thiourea Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NCCC(=O)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NCCC(=O)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C25H27N5O4S/c1-33-21-11-6-5-10-19(21)28-25(35)26-13-12-23(31)29-14-7-15-30(29)24(32)20-16-22(34-2)17-8-3-4-9-18(17)27-20/h3-6,8-11,16H,7,12-15H2,1-2H3,(H2,26,28,35)