1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[4-(diethylamino)phenyl]thiourea Formula: C21H31N3S MolecularWeight: 357.55594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3S/c1-3-24(4-2)19-7-5-18(6-8-19)22-20(25)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h5-8,15-17H,3-4,9-14H2,1-2H3,(H2,22,23,25)