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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)NCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c1-2-33-23-9-10-24-21(14-23)13-22(27(32)30-24)17-31(28(36)29-15-19-6-4-3-5-7-19)16-20-8-11-25-26(12-20)35-18-34-25/h3-14H,2,15-18H2,1H3,(H,29,36)(H,30,32)