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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-morpholino-3-nitro-benzamide Formula: C26H24N4O4S2 MolecularWeight: 520.62316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H24N4O4S2/c31-24(16-9-10-19(20(15-16)30(32)33)29-11-13-34-14-12-29)28-26-23(17-5-1-3-7-21(17)35-26)25-27-18-6-2-4-8-22(18)36-25/h2,4,6,8-10,15H,1,3,5,7,11-14H2,(H,28,31)