5-(phenylcarbonyl)-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-thiazol-3-one

Systemtic Name: 5-(phenylcarbonyl)-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-benzyl-4-(benzylamino)isothiazol-3-one CAS Name: 5-benzoyl-2-(phenylmethyl)-4-[(phenylmethyl)amino]-3-isothiazolone IUPAC Name: 5-benzoyl-2-benzyl-4-(benzylamino)-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-benzyl-4-(benzylamino)-4-isothiazolin-3-one Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(SN(C2=O)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(SN(C2=O)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O2S/c27-22(20-14-8-3-9-15-20)23-21(25-16-18-10-4-1-5-11-18)24(28)26(29-23)17-19-12-6-2-7-13-19/h1-15,25H,16-17H2