1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-1-piperonyl-thiourea Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC)C

InChI

InChI=1S/C22H23N3O3S/c1-13-6-16-9-17(21(26)24-18(16)7-14(13)2)11-25(22(29)23-3)10-15-4-5-19-20(8-15)28-12-27-19/h4-9H,10-12H2,1-3H3,(H,23,29)(H,24,26)