(2E)-4-[(3-chlorophenyl)methyl]-2-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylidene]-1,4-benzothiazin-3-one

Systemtic Name: (2E)-4-[(3-chlorophenyl)methyl]-2-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylidene]-1,4-benzothiazin-3-one Openeye Name: (2E)-4-[(3-chlorophenyl)methyl]-2-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylene]-1,4-benzothiazin-3-one CAS Name: (2E)-4-[(3-chlorophenyl)methyl]-2-[[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]methylidene]-1,4-benzothiazin-3-one IUPAC Name: (2E)-4-[(3-chlorophenyl)methyl]-2-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylidene]-1,4-benzothiazin-3-one Traditional Name: (2E)-4-(3-chlorobenzyl)-2-[4-(4-cyclohexylpiperazine-1-carbonyl)benzylidene]-1,4-benzothiazin-3-one Formula: C33H34ClN3O2S MolecularWeight: 572.15996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C=C4C(=O)N(C5=CC=CC=C5S4)CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)/C=C/4\C(=O)N(C5=CC=CC=C5S4)CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C33H34ClN3O2S/c34-27-8-6-7-25(21-27)23-37-29-11-4-5-12-30(29)40-31(33(37)39)22-24-13-15-26(16-14-24)32(38)36-19-17-35(18-20-36)28-9-2-1-3-10-28/h4-8,11-16,21-22,28H,1-3,9-10,17-20,23H2/b31-22+