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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-piperonyl-thiourea Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-10(13-7-12(18)3-4-14(13)22)20-21-17(25)19-8-11-2-5-15-16(6-11)24-9-23-15/h2-7,20H,8-9H2,1H3,(H2,19,21,25)