1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-5,8-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=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC

InChI

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