N-phenethyl-N-(phenylmethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-phenethyl-N-(phenylmethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-benzyl-N-phenethyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-phenethyl-N-(phenylmethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-benzyl-N-phenethyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-phenethyl-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C25H24N2O4S/c28-24(16-18-27-25(29)22-13-7-8-14-23(22)32(27,30)31)26(19-21-11-5-2-6-12-21)17-15-20-9-3-1-4-10-20/h1-14H,15-19H2