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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-isobutyl-1-piperonyl-thiourea Formula: C25H29N3O4S MolecularWeight: 467.58046

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-4-30-20-6-7-21-18(11-20)10-19(24(29)27-21)14-28(25(33)26-12-16(2)3)13-17-5-8-22-23(9-17)32-15-31-22/h5-11,16H,4,12-15H2,1-3H3,(H,26,33)(H,27,29)