1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c1-32-22-9-8-20-12-21(26(31)29-23(20)13-22)16-30(27(35)28-14-18-5-3-2-4-6-18)15-19-7-10-24-25(11-19)34-17-33-24/h2-13H,14-17H2,1H3,(H,28,35)(H,29,31)