N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(2-ethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(2-ethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidino)sulfonyl-benzamide Formula: C25H30BrN3O4S2 MolecularWeight: 580.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOCC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOCC

InChI

InChI=1S/C25H30BrN3O4S2/c1-3-20-7-5-6-14-29(20)35(31,32)21-11-8-18(9-12-21)24(30)27-25-28(15-16-33-4-2)22-13-10-19(26)17-23(22)34-25/h8-13,17,20H,3-7,14-16H2,1-2H3