1-(2,5-dimethylphenyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propylamino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)propylamino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propylamino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)propylamino]thiourea Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC(=O)C=C1)NNC(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(=C1C=CC(=O)C=C1)NNC(=S)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H21N3OS/c1-4-16(14-7-9-15(22)10-8-14)20-21-18(23)19-17-11-12(2)5-6-13(17)3/h5-11,20H,4H2,1-3H3,(H2,19,21,23)