1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[(Z)-1-(1-adamantyl)ethylideneamino]-3-(3,4-dimethoxyphenyl)thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC(=C(C=C1)OC)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC(=C(C=C1)OC)OC)/C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O2S/c1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)23-24-20(27)22-17-4-5-18(25-2)19(9-17)26-3/h4-5,9,14-16H,6-8,10-12H2,1-3H3,(H2,22,24,27)/b23-13-