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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC(=CC=C5)OC

InChI

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