1-[3-tert-butylsulfanyl-5-propan-2-yl-1-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methyl]indol-2-yl]-1-propyl-urea

Systemtic Name: 1-[3-tert-butylsulfanyl-5-propan-2-yl-1-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methyl]indol-2-yl]-1-propyl-urea Openeye Name: 1-[3-tert-butylsulfanyl-5-isopropyl-1-[(6-thioxocyclohexa-1,3-dien-1-yl)methyl]indol-2-yl]-1-propyl-urea CAS Name: 1-[3-(tert-butylthio)-5-propan-2-yl-1-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)methyl]-2-indolyl]-1-propylurea IUPAC Name: 1-[3-tert-butylsulfanyl-5-propan-2-yl-1-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methyl]indol-2-yl]-1-propylurea Traditional Name: 1-[3-(tert-butylthio)-5-isopropyl-1-[(6-thioxocyclohexa-1,3-dien-1-yl)methyl]indol-2-yl]-1-propyl-urea Formula: C26H35N3OS2 MolecularWeight: 469.7056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C2=C(N1CC3=CC=CCC3=S)C=CC(=C2)C(C)C)SC(C)(C)C)C(=O)N

Isomeric SMILES

CCCN(C1=C(C2=C(N1CC3=CC=CCC3=S)C=CC(=C2)C(C)C)SC(C)(C)C)C(=O)N

InChI

InChI=1S/C26H35N3OS2/c1-7-14-28(25(27)30)24-23(32-26(4,5)6)20-15-18(17(2)3)12-13-21(20)29(24)16-19-10-8-9-11-22(19)31/h8-10,12-13,15,17H,7,11,14,16H2,1-6H3,(H2,27,30)