1-(1-adamantyl)-3-[3-[methyl(phenyl)amino]propyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[3-[methyl(phenyl)amino]propyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[3-(N-methylanilino)propyl]thiourea CAS Name: 1-(1-adamantyl)-3-[3-(N-methylanilino)propyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[3-(N-methylanilino)propyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[3-(N-methylanilino)propyl]thiourea Formula: C21H31N3S MolecularWeight: 357.55594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=S)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC(=S)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C21H31N3S/c1-24(19-6-3-2-4-7-19)9-5-8-22-20(25)23-21-13-16-10-17(14-21)12-18(11-16)15-21/h2-4,6-7,16-18H,5,8-15H2,1H3,(H2,22,23,25)