1-[[2-[(E)-but-2-enyl]sulfanyl-3-(2-methylpropylamino)phenyl]amino]-2-methyl-propane-2-thiol

Systemtic Name: 1-[[2-[(E)-but-2-enyl]sulfanyl-3-(2-methylpropylamino)phenyl]amino]-2-methyl-propane-2-thiol Openeye Name: 1-[2-[(E)-but-2-enyl]sulfanyl-3-(isobutylamino)anilino]-2-methyl-propane-2-thiol CAS Name: 1-[2-[[(E)-but-2-enyl]thio]-3-(2-methylpropylamino)anilino]-2-methyl-2-propanethiol IUPAC Name: 1-[2-[(E)-but-2-enyl]sulfanyl-3-(2-methylpropylamino)anilino]-2-methylpropane-2-thiol Traditional Name: 1-[2-[[(E)-but-2-enyl]thio]-3-(isobutylamino)anilino]-2-methyl-propane-2-thiol Formula: C18H30N2S2 MolecularWeight: 338.5742

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=C(C=CC=C1NCC(C)(C)S)NCC(C)C

Isomeric SMILES

C/C=C/CSC1=C(C=CC=C1NCC(C)(C)S)NCC(C)C

InChI

InChI=1S/C18H30N2S2/c1-6-7-11-22-17-15(19-12-14(2)3)9-8-10-16(17)20-13-18(4,5)21/h6-10,14,19-21H,11-13H2,1-5H3/b7-6+