1-(1-adamantyl)-3-[(E)-(3,4-diethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(3,4-diethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(3,4-diethoxyphenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(3,4-diethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(3,4-diethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(3,4-diethoxybenzylidene)amino]thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/NC(=S)NC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C22H31N3O2S/c1-3-26-19-6-5-15(10-20(19)27-4-2)14-23-25-21(28)24-22-11-16-7-17(12-22)9-18(8-16)13-22/h5-6,10,14,16-18H,3-4,7-9,11-13H2,1-2H3,(H2,24,25,28)/b23-14+