1-[(E)-(6-methoxy-5-nonanoyl-4-oxidanylidene-pyran-2-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(6-methoxy-5-nonanoyl-4-oxidanylidene-pyran-2-yl)methylideneamino]thiourea Openeye Name: [(E)-(6-methoxy-5-nonanoyl-4-oxo-pyran-2-yl)methyleneamino]thiourea CAS Name: [(E)-[6-methoxy-4-oxo-5-(1-oxononyl)-2-pyranyl]methylideneamino]thiourea IUPAC Name: [(E)-(6-methoxy-5-nonanoyl-4-oxopyran-2-yl)methylideneamino]thiourea Traditional Name: [(E)-(4-keto-6-methoxy-5-pelargonyl-pyran-2-yl)methyleneamino]thiourea Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(OC(=CC1=O)C=NNC(=S)N)OC

Isomeric SMILES

CCCCCCCCC(=O)C1=C(OC(=CC1=O)/C=N/NC(=S)N)OC

InChI

InChI=1S/C17H25N3O4S/c1-3-4-5-6-7-8-9-13(21)15-14(22)10-12(24-16(15)23-2)11-19-20-17(18)25/h10-11H,3-9H2,1-2H3,(H3,18,20,25)/b19-11+