butan-2-yl N-[[2-acetamido-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: butan-2-yl N-[[2-acetamido-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: sec-butyl N-[(2-acetamido-5-benzoyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-acetamido-5-benzoylanilino)-sulfanylidenemethyl]carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-[(2-acetamido-5-benzoylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-acetamido-5-benzoyl-phenyl)thiocarbamoyl]carbamic acid sec-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCC(C)OC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-4-13(2)28-21(27)24-20(29)23-18-12-16(10-11-17(18)22-14(3)25)19(26)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,22,25)(H2,23,24,27,29)