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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-piperonyl-thiourea Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5OC

InChI

InChI=1S/C28H27N3O4S/c1-3-18-8-10-22-20(12-18)14-21(27(32)29-22)16-31(15-19-9-11-25-26(13-19)35-17-34-25)28(36)30-23-6-4-5-7-24(23)33-2/h4-14H,3,15-17H2,1-2H3,(H,29,32)(H,30,36)