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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-19-8-9-20(2)27-24(19)15-23(28(33)31-27)17-32(16-22-10-11-25-26(14-22)35-18-34-25)29(36)30-13-12-21-6-4-3-5-7-21/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,30,36)(H,31,33)