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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S2/c1-3-15-28-22-14-9-19(4-2)18-23(22)32-25(28)26-24(29)20-10-12-21(13-11-20)33(30,31)27-16-7-5-6-8-17-27/h9-14,18H,3-8,15-17H2,1-2H3