1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(4-ethylphenyl)-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)OC)NC4=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5)OC)NC4=O

InChI

InChI=1S/C28H27N3O4S/c1-3-18-4-7-22(8-5-18)29-28(36)31(15-19-6-11-25-26(12-19)35-17-34-25)16-21-13-20-14-23(33-2)9-10-24(20)30-27(21)32/h4-14H,3,15-17H2,1-2H3,(H,29,36)(H,30,32)