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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5CCCCC5

InChI

InChI=1S/C27H31N3O4S/c1-2-32-22-9-10-23-19(14-22)13-20(26(31)29-23)16-30(27(35)28-21-6-4-3-5-7-21)15-18-8-11-24-25(12-18)34-17-33-24/h8-14,21H,2-7,15-17H2,1H3,(H,28,35)(H,29,31)