4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-keto-1-methyl-2-(propylamino)ethyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-3-12-22-19(25)14(2)23-20(26)16-10-8-15(9-11-16)13-27-21-24-17-6-4-5-7-18(17)28-21/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,26)