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

Systemtic Name: 1-butyl-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-2-3-8-13-12(17)15-14-9-10-4-6-11(16)7-5-10/h4-7,9,14H,2-3,8H2,1H3,(H2,13,15,17)