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

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C25H24N4OS MolecularWeight: 428.54926

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-18-9-10-21-13-22(24(30)28-23(21)12-18)17-29(16-20-8-5-11-26-14-20)25(31)27-15-19-6-3-2-4-7-19/h2-14H,15-17H2,1H3,(H,27,31)(H,28,30)