N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4-bis(chloranyl)benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4-bis(chloranyl)benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4-dichloro-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dichlorobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4-dichlorobenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-3,4-dichloro-benzamide Formula: C17H12Cl2N4O3S MolecularWeight: 423.27318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N4O3S/c1-8(24)20-10-3-5-13-14(7-10)26-16(21-13)23-17(27)22-15(25)9-2-4-11(18)12(19)6-9/h2-7H,1H3,(H,20,24)(H2,21,22,23,25,27)