1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea Openeye Name: 1,3-dibenzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(phenylmethyl)thiourea IUPAC Name: 1,3-dibenzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1,3-dibenzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiourea Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-2-32-24-13-14-25-22(16-24)15-23(26(31)29-25)19-30(18-21-11-7-4-8-12-21)27(33)28-17-20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,28,33)(H,29,31)