N-[5-[(6-butyl-1,3-benzothiazol-2-yl)carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[(6-butyl-1,3-benzothiazol-2-yl)carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[(6-butyl-1,3-benzothiazol-2-yl)carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[(6-butyl-1,3-benzothiazol-2-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[5-[(6-butyl-1,3-benzothiazol-2-yl)carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide Formula: C23H20ClN3O2S2 MolecularWeight: 470.0068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H20ClN3O2S2/c1-2-3-5-14-7-10-17-20(12-14)31-23(26-17)27-21(28)15-8-9-16(24)18(13-15)25-22(29)19-6-4-11-30-19/h4,6-13H,2-3,5H2,1H3,(H,25,29)(H,26,27,28)