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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-piperonyl-thiourea Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5NC4=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=CC(=C5NC4=O)C)C

InChI

InChI=1S/C29H29N3O3S/c1-4-21-7-5-6-8-24(21)30-29(36)32(15-20-11-12-25-26(13-20)35-17-34-25)16-22-14-23-18(2)9-10-19(3)27(23)31-28(22)33/h5-14H,4,15-17H2,1-3H3,(H,30,36)(H,31,33)