N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C20H24N4O3S/c1-13(2)23-20(27)22-11-14-7-9-15(10-8-14)19(26)24-16-5-3-4-6-17(16)28-12-18(21)25/h3-10,13H,11-12H2,1-2H3,(H2,21,25)(H,24,26)(H2,22,23,27)