N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-iodanyl-benzamide

Systemtic Name: N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-iodanyl-benzamide Openeye Name: N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxo-ethyl]thiazol-2-yl]-4-iodo-benzamide CAS Name: N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-2-thiazolyl]-4-iodobenzamide IUPAC Name: N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-iodobenzamide Traditional Name: N-[4-[2-[3-(cyclohexylamino)propylamino]-2-keto-ethyl]thiazol-2-yl]-4-iodo-benzamide Formula: C21H27IN4O2S MolecularWeight: 526.43415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCC(CC1)NCCCNC(=O)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H27IN4O2S/c22-16-9-7-15(8-10-16)20(28)26-21-25-18(14-29-21)13-19(27)24-12-4-11-23-17-5-2-1-3-6-17/h7-10,14,17,23H,1-6,11-13H2,(H,24,27)(H,25,26,28)