1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylamino]-3-piperonyl-thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O3S/c1-11(13-3-5-14(21)6-4-13)19-20-17(24)18-9-12-2-7-15-16(8-12)23-10-22-15/h2-8,19H,9-10H2,1H3,(H2,18,20,24)