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

Systemtic Name: 3-butyl-1-methyl-1-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 3-butyl-1-methyl-1-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 3-butyl-1-methyl-1-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 3-butyl-1-methyl-1-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 3-butyl-1-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-thiourea Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)NC=C1C=CC(=O)C=C1

Isomeric SMILES

CCCCNC(=S)N(C)NC=C1C=CC(=O)C=C1

InChI

InChI=1S/C13H19N3OS/c1-3-4-9-14-13(18)16(2)15-10-11-5-7-12(17)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,18)