1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-piperonyl-thiourea Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)OC)NC4=O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)OC)NC4=O

InChI

InChI=1S/C27H25N3O5S/c1-32-21-6-4-20(5-7-21)28-27(36)30(14-17-3-10-24-25(11-17)35-16-34-24)15-19-12-18-13-22(33-2)8-9-23(18)29-26(19)31/h3-13H,14-16H2,1-2H3,(H,28,36)(H,29,31)