4,7-dimethyl-3-[(E)-2-methyl-1-(methylsulfanylmethoxy)hex-4-enyl]-6-propan-2-yl-1,4,7-triazacycloundecane-2,5-dione

Systemtic Name: 4,7-dimethyl-3-[(E)-2-methyl-1-(methylsulfanylmethoxy)hex-4-enyl]-6-propan-2-yl-1,4,7-triazacycloundecane-2,5-dione Openeye Name: 6-isopropyl-4,7-dimethyl-3-[(E)-2-methyl-1-(methylsulfanylmethoxy)hex-4-enyl]-1,4,7-triazacycloundecane-2,5-dione CAS Name: 4,7-dimethyl-3-[(E)-2-methyl-1-[(methylthio)methoxy]hex-4-enyl]-6-propan-2-yl-1,4,7-triazacycloundecane-2,5-dione IUPAC Name: 4,7-dimethyl-3-[(E)-2-methyl-1-(methylsulfanylmethoxy)hex-4-enyl]-6-propan-2-yl-1,4,7-triazacycloundecane-2,5-dione Traditional Name: 6-isopropyl-4,7-dimethyl-3-[(E)-2-methyl-1-[(methylthio)methoxy]hex-4-enyl]-1,4,7-triazacycloundecane-2,5-quinone Formula: C22H41N3O3S MolecularWeight: 427.64424

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(C1C(=O)NCCCCN(C(C(=O)N1C)C(C)C)C)OCSC

Isomeric SMILES

C/C=C/CC(C)C(C1C(=O)NCCCCN(C(C(=O)N1C)C(C)C)C)OCSC

InChI

InChI=1S/C22H41N3O3S/c1-8-9-12-17(4)20(28-15-29-7)19-21(26)23-13-10-11-14-24(5)18(16(2)3)22(27)25(19)6/h8-9,16-20H,10-15H2,1-7H3,(H,23,26)/b9-8+