1-(1,3-benzodioxol-5-ylmethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-phenyl-1-piperonyl-thiourea Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-17-6-5-7-19-13-20(25(30)28-24(17)19)15-29(26(33)27-21-8-3-2-4-9-21)14-18-10-11-22-23(12-18)32-16-31-22/h2-13H,14-16H2,1H3,(H,27,33)(H,28,30)