1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,8-dimethyl-2-quinolyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,8-dimethyl-2-quinolinyl)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,8-dimethylquinolin-2-yl)amino]thiourea Traditional Name: 1-[(4,8-dimethyl-2-quinolyl)amino]-3-piperonyl-thiourea Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)NNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O2S/c1-12-4-3-5-15-13(2)8-18(22-19(12)15)23-24-20(27)21-10-14-6-7-16-17(9-14)26-11-25-16/h3-9H,10-11H2,1-2H3,(H,22,23)(H2,21,24,27)