N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[(4-acetamidophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[1-[(4-acetamidophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-[(4-acetamidobenzyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-15(25)23-18-10-8-16(9-11-18)14-22-21(27)19(12-13-28-2)24-20(26)17-6-4-3-5-7-17/h3-11,19H,12-14H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)