1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[(2-keto-5,7-dimethyl-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:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5OC)C

InChI

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