1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(3-pyridylmethyl)thiourea Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC(C)C4=CC=CC=C4

InChI

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