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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=CC1=O

InChI

InChI=1S/C17H17N3O4S/c1-22-15-6-12(2-4-13(15)21)9-19-20-17(25)18-8-11-3-5-14-16(7-11)24-10-23-14/h2-7,9,19H,8,10H2,1H3,(H2,18,20,25)