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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-(2-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=C5OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5OC

InChI

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