1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC)C

InChI

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