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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-1-piperonyl-thiourea Formula: C29H29N3O4S MolecularWeight: 515.62326

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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)NCCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S/c1-2-34-24-9-10-25-22(16-24)15-23(28(33)31-25)18-32(17-21-8-11-26-27(14-21)36-19-35-26)29(37)30-13-12-20-6-4-3-5-7-20/h3-11,14-16H,2,12-13,17-19H2,1H3,(H,30,37)(H,31,33)