1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-[(1S)-1-phenylethyl]-1-(3-pyridylmethyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)N[C@@H](C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4OS/c1-18-12-19(2)25-23(13-18)14-24(26(32)30-25)17-31(16-21-8-7-11-28-15-21)27(33)29-20(3)22-9-5-4-6-10-22/h4-15,20H,16-17H2,1-3H3,(H,29,33)(H,30,32)/t20-/m0/s1