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

Systemtic Name: 1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-benzyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-32-24-13-12-22-16-23(26(31)29-25(22)17-24)19-30(18-21-10-6-3-7-11-21)27(33)28-15-14-20-8-4-2-5-9-20/h2-13,16-17H,14-15,18-19H2,1H3,(H,28,33)(H,29,31)