1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C(C1=O)OC

InChI

InChI=1S/C18H19N3O5S/c1-23-15-6-12(7-16(24-2)17(15)22)9-20-21-18(27)19-8-11-3-4-13-14(5-11)26-10-25-13/h3-7,9,20H,8,10H2,1-2H3,(H2,19,21,27)