1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCC5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O3S/c1-18-8-10-22-13-23(27(32)30-26(22)19(18)2)16-31(28(35)29-14-20-6-4-3-5-7-20)15-21-9-11-24-25(12-21)34-17-33-24/h3-13H,14-17H2,1-2H3,(H,29,35)(H,30,32)