3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O)C

InChI

InChI=1S/C26H26N4O2S/c1-17-6-8-23(18(2)11-17)29-26(33)30(15-19-5-4-10-27-14-19)16-21-12-20-13-22(32-3)7-9-24(20)28-25(21)31/h4-14H,15-16H2,1-3H3,(H,28,31)(H,29,33)