4-(azepan-1-ylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]benzamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C/C(=C/4\NC5=CC=CC=C5S4)/C(=O)C=C3

InChI

InChI=1S/C26H25N3O4S2/c30-23-14-11-19(17-21(23)26-28-22-7-3-4-8-24(22)34-26)27-25(31)18-9-12-20(13-10-18)35(32,33)29-15-5-1-2-6-16-29/h3-4,7-14,17,28H,1-2,5-6,15-16H2,(H,27,31)/b26-21-