4-(azepan-1-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1-ethyl-2-benzo[e][1,3]benzothiazolylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H27N3O3S2/c1-2-29-24-22-10-6-5-9-19(22)13-16-23(24)33-26(29)27-25(30)20-11-14-21(15-12-20)34(31,32)28-17-7-3-4-8-18-28/h5-6,9-16H,2-4,7-8,17-18H2,1H3