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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-methyl-1-piperonyl-thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC

InChI

InChI=1S/C21H21N3O3S/c1-13-3-5-17-15(7-13)9-16(20(25)23-17)11-24(21(28)22-2)10-14-4-6-18-19(8-14)27-12-26-18/h3-9H,10-12H2,1-2H3,(H,22,28)(H,23,25)