methyl (NE)-N-[[[2-acetamido-5-(phenylcarbonyl)phenyl]amino]-propan-2-ylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NE)-N-[[[2-acetamido-5-(phenylcarbonyl)phenyl]amino]-propan-2-ylsulfanyl-methylidene]carbamate Openeye Name: methyl (NE)-N-[(2-acetamido-5-benzoyl-anilino)-isopropylsulfanyl-methylene]carbamate CAS Name: (NE)-N-[(2-acetamido-5-benzoylanilino)-(propan-2-ylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NE)-N-[(2-acetamido-5-benzoylanilino)-propan-2-ylsulfanylmethylidene]carbamate Traditional Name: (NE)-N-[(2-acetamido-5-benzoyl-anilino)-(isopropylthio)methylene]carbamic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=NC(=O)OC)NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

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