1-butyl-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-butyl-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=CC(=O)C(=C1)OCC

Isomeric SMILES

CCCCNC(=S)NNC=C1C=CC(=O)C(=C1)OCC

InChI

InChI=1S/C14H21N3O2S/c1-3-5-8-15-14(20)17-16-10-11-6-7-12(18)13(9-11)19-4-2/h6-7,9-10,16H,3-5,8H2,1-2H3,(H2,15,17,20)