N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-morpholinosulfonyl-benzamide Formula: C26H25N3O4S3 MolecularWeight: 539.6894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H25N3O4S3/c30-24(17-9-11-18(12-10-17)36(31,32)29-13-15-33-16-14-29)28-26-23(19-5-1-3-7-21(19)34-26)25-27-20-6-2-4-8-22(20)35-25/h2,4,6,8-12H,1,3,5,7,13-16H2,(H,28,30)