5-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H16BrN3O2S2 MolecularWeight: 486.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16BrN3O2S2/c1-12-10-13(22)6-7-14(12)24-19(26)11-23-20(27)17-8-9-18(28-17)21-25-15-4-2-3-5-16(15)29-21/h2-10H,11H2,1H3,(H,23,27)(H,24,26)