1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-22-9-10-23-20(13-22)12-21(24(30)28-23)17-29(16-19-8-5-11-26-14-19)25(32)27-15-18-6-3-2-4-7-18/h2-14H,15-17H2,1H3,(H,27,32)(H,28,30)