5-(1,3-benzothiazol-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(isobutyrylamino)benzyl]thiophene-2-carboxamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O2S2/c1-14(2)21(27)25-16-7-5-6-15(12-16)13-24-22(28)19-10-11-20(29-19)23-26-17-8-3-4-9-18(17)30-23/h3-12,14H,13H2,1-2H3,(H,24,28)(H,25,27)