1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-19-9-10-22-15-23(25(31)29-24(22)14-19)18-30(17-21-8-5-12-27-16-21)26(32)28-13-11-20-6-3-2-4-7-20/h2-10,12,14-16H,11,13,17-18H2,1H3,(H,28,32)(H,29,31)