1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-piperonyl-thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=CC1=O)OC)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=C1C=CC(=CC1=O)OC)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O4S/c1-11(14-5-4-13(23-2)8-15(14)22)20-21-18(26)19-9-12-3-6-16-17(7-12)25-10-24-16/h3-8,20H,9-10H2,1-2H3,(H2,19,21,26)