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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(2R)-2-oxidanylpropyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2R)-2-hydroxypropyl]thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2R)-2-hydroxypropyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2R)-2-hydroxypropyl]thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-[(2R)-2-hydroxypropyl]thiourea Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC(C)O)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@@H](C)O)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-3-29-20-9-10-21-18(12-20)11-19(22(28)25-21)15-26(14-16(2)27)23(30)24-13-17-7-5-4-6-8-17/h4-12,16,27H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t16-/m1/s1