1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea Traditional Name: 3-benzyl-1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H27N3O4S/c1-29-20-12-17-11-18(22(28)25-19(17)13-21(20)30-2)15-26(9-6-10-27)23(31)24-14-16-7-4-3-5-8-16/h3-5,7-8,11-13,27H,6,9-10,14-15H2,1-2H3,(H,24,31)(H,25,28)