1-[(E)-[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]thiourea Openeye Name: [(E)-[3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyleneamino]thiourea CAS Name: [(E)-[3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]thiourea Traditional Name: [(E)-[4-(2-keto-2-piperidino-ethoxy)-3-methoxy-benzylidene]amino]thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OCC(=O)N2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)N)OCC(=O)N2CCCCC2

InChI

InChI=1S/C16H22N4O3S/c1-22-14-9-12(10-18-19-16(17)24)5-6-13(14)23-11-15(21)20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H3,17,19,24)/b18-10+