1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC(=CC=C4)OC)C

InChI

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