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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

InChI

InChI=1S/C26H29N3O4S/c1-31-21-9-8-18-12-19(25(30)28-22(18)13-21)15-29(26(34)27-20-5-3-2-4-6-20)14-17-7-10-23-24(11-17)33-16-32-23/h7-13,20H,2-6,14-16H2,1H3,(H,27,34)(H,28,30)