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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-morpholinophenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-[4-(4-morpholinyl)phenyl]ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(4-morpholinophenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S/c1-15(17-3-5-18(6-4-17)25-8-10-26-11-9-25)23-24-21(29)22-13-16-2-7-19-20(12-16)28-14-27-19/h2-7,12H,8-11,13-14H2,1H3,(H2,22,24,29)/b23-15-