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

Systemtic Name: 1-[(4-butoxy-3-chloranyl-phenyl)methyl]-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-butoxy-3-chloro-phenyl)methyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-butoxy-3-chlorophenyl)methyl]-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-butoxy-3-chlorophenyl)methyl]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-butoxy-3-chloro-benzyl)-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C=C2)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C=C2)Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-2-3-10-25-18-9-6-15(11-17(18)20)12-21-19(26)23-22-13-14-4-7-16(24)8-5-14/h4-9,11,13,22H,2-3,10,12H2,1H3,(H2,21,23,26)