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

Systemtic Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: N-[[(6-acetamido-1,3-benzoxazol-2-yl)amino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[(6-acetamido-1,3-benzoxazol-2-yl)thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(O2)C=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-9-3-5-12(13(19)7-9)16(25)22-18(27)23-17-21-14-6-4-11(20-10(2)24)8-15(14)26-17/h3-8H,1-2H3,(H,20,24)(H2,21,22,23,25,27)