(2R)-2-acetamido-N-[[3-(ethylcarbamothioylamino)phenyl]methyl]-3-methoxy-propanamide

Systemtic Name: (2R)-2-acetamido-N-[[3-(ethylcarbamothioylamino)phenyl]methyl]-3-methoxy-propanamide Openeye Name: (2R)-2-acetamido-N-[[3-(ethylcarbamothioylamino)phenyl]methyl]-3-methoxy-propanamide CAS Name: (2R)-2-acetamido-N-[[3-[[ethylamino(sulfanylidene)methyl]amino]phenyl]methyl]-3-methoxypropanamide IUPAC Name: (2R)-2-acetamido-N-[[3-(ethylcarbamothioylamino)phenyl]methyl]-3-methoxypropanamide Traditional Name: (2R)-2-acetamido-N-[3-(ethylthiocarbamoylamino)benzyl]-3-methoxy-propionamide Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=CC(=C1)CNC(=O)C(COC)NC(=O)C

Isomeric SMILES

CCNC(=S)NC1=CC=CC(=C1)CNC(=O)[C@@H](COC)NC(=O)C

InChI

InChI=1S/C16H24N4O3S/c1-4-17-16(24)20-13-7-5-6-12(8-13)9-18-15(22)14(10-23-3)19-11(2)21/h5-8,14H,4,9-10H2,1-3H3,(H,18,22)(H,19,21)(H2,17,20,24)/t14-/m1/s1