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4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide

4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide

Systemtic Name:4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide
Openeye Name:4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide
CAS Name:4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide
IUPAC Name:4-(1-adamantylamino)-3-(3,4-dichlorophenyl)butanethioamide
Traditional Name:4-(1-adamantylamino)-3-(3,4-dichlorophenyl)thiobutyramide
Formula: C20H26Cl2N2S
MolecularWeight: 397.40484
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC(CC(=S)N)C4=CC(=C(C=C4)Cl)Cl


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC(CC(=S)N)C4=CC(=C(C=C4)Cl)Cl


InChI

InChI=1S/C20H26Cl2N2S/c21-17-2-1-15(6-18(17)22)16(7-19(23)25)11-24-20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,6,12-14,16,24H,3-5,7-11H2,(H2,23,25)


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