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

Systemtic Name: 1-butyl-3-[(Z)-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzylidene]amino]thiourea Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OCC(=O)N2CCCCC2)OCC

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC(=C(C=C1)OCC(=O)N2CCCCC2)OCC

InChI

InChI=1S/C21H32N4O3S/c1-3-5-11-22-21(29)24-23-15-17-9-10-18(19(14-17)27-4-2)28-16-20(26)25-12-7-6-8-13-25/h9-10,14-15H,3-8,11-13,16H2,1-2H3,(H2,22,24,29)/b23-15-