N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-5-(3-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-5-(3-chlorophenyl)-2-furamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(O2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H15ClN4O4S/c1-11(27)23-14-5-6-15-18(10-14)30-20(24-15)26-21(31)25-19(28)17-8-7-16(29-17)12-3-2-4-13(22)9-12/h2-10H,1H3,(H,23,27)(H2,24,25,26,28,31)