1-(1-adamantylcarbonylamino)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea Openeye Name: 1-(adamantane-1-carbonylamino)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-[2-[(4-chlorophenyl)thio]ethyl]thiourea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-[2-(4-chlorophenyl)sulfanylethyl]thiourea Traditional Name: 1-(adamantane-1-carbonylamino)-3-[2-[(4-chlorophenyl)thio]ethyl]thiourea Formula: C20H26ClN3OS2 MolecularWeight: 424.02294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H26ClN3OS2/c21-16-1-3-17(4-2-16)27-6-5-22-19(26)24-23-18(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2,(H,23,25)(H2,22,24,26)