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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide Formula: C23H19BrN2OS2 MolecularWeight: 483.44376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C23H19BrN2OS2/c1-13-9-10-16-19(11-13)29-23(26-21(27)14-5-4-6-15(24)12-14)20(16)22-25-17-7-2-3-8-18(17)28-22/h2-8,12-13H,9-11H2,1H3,(H,26,27)