N-cyclohexyl-2-[[6-[(4-iodophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[6-[(4-iodophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[6-[(4-iodophenyl)methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[6-[(4-iodophenyl)methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[6-[(4-iodophenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[6-[(4-iodobenzylidene)amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C22H22IN3OS2 MolecularWeight: 535.46405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC=C(C=C4)I

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC=C(C=C4)I

InChI

InChI=1S/C22H22IN3OS2/c23-16-8-6-15(7-9-16)13-24-18-10-11-19-20(12-18)29-22(26-19)28-14-21(27)25-17-4-2-1-3-5-17/h6-13,17H,1-5,14H2,(H,25,27)