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

Systemtic Name: 1-[1-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[1-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[1-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[1-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[1-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(3-ethoxypropyl)thiourea Formula: C14H20ClN3O2S MolecularWeight: 329.8455

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NNC(=C1C=C(C=CC1=O)Cl)C

Isomeric SMILES

CCOCCCNC(=S)NNC(=C1C=C(C=CC1=O)Cl)C

InChI

InChI=1S/C14H20ClN3O2S/c1-3-20-8-4-7-16-14(21)18-17-10(2)12-9-11(15)5-6-13(12)19/h5-6,9,17H,3-4,7-8H2,1-2H3,(H2,16,18,21)