1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-7-methyl-3-quinolinyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]-3-piperonyl-thiourea Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=S)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N\NC(=S)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-12-2-4-14-8-15(19(21)24-16(14)6-12)10-23-25-20(28)22-9-13-3-5-17-18(7-13)27-11-26-17/h2-8,10H,9,11H2,1H3,(H2,22,25,28)/b23-10-