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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

InChI

InChI=1S/C26H29N3O3S/c1-17-7-9-22-19(11-17)13-20(25(30)28-22)15-29(26(33)27-21-5-3-2-4-6-21)14-18-8-10-23-24(12-18)32-16-31-23/h7-13,21H,2-6,14-16H2,1H3,(H,27,33)(H,28,30)