1-(2,6-dimethylphenyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC=C2C=CC(=O)C=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC=C2C=CC(=O)C=C2

InChI

InChI=1S/C16H17N3OS/c1-11-4-3-5-12(2)15(11)18-16(21)19-17-10-13-6-8-14(20)9-7-13/h3-10,17H,1-2H3,(H2,18,19,21)