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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c1-33-23-8-9-24-21(15-23)14-22(27(32)30-24)17-31(16-20-7-10-25-26(13-20)35-18-34-25)28(36)29-12-11-19-5-3-2-4-6-19/h2-10,13-15H,11-12,16-18H2,1H3,(H,29,36)(H,30,32)