1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4OS/c1-18-11-19(2)23-13-22(25(31)29-24(23)12-18)17-30(16-21-9-6-10-27-14-21)26(32)28-15-20-7-4-3-5-8-20/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,31)