1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-morpholinophenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[4-(4-morpholinyl)phenyl]methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-morpholinobenzylidene)amino]-3-piperonyl-thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=N\NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O3S/c28-20(21-12-16-3-6-18-19(11-16)27-14-26-18)23-22-13-15-1-4-17(5-2-15)24-7-9-25-10-8-24/h1-6,11,13H,7-10,12,14H2,(H2,21,23,28)/b22-13-