4-(azepan-1-ylsulfonyl)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O3S2/c1-4-15-29-23-14-11-21(19(2)3)18-24(23)33-26(29)27-25(30)20-9-12-22(13-10-20)34(31,32)28-16-7-5-6-8-17-28/h9-14,18-19H,4-8,15-17H2,1-3H3