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

Systemtic Name: 5-(4-methoxyphenyl)carbonyl-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-thiazol-3-one Openeye Name: 2-benzyl-4-(benzylamino)-5-(4-methoxybenzoyl)isothiazol-3-one CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-4-[(phenylmethyl)amino]-3-isothiazolone IUPAC Name: 2-benzyl-4-(benzylamino)-5-(4-methoxybenzoyl)-1,2-thiazol-3-one Traditional Name: 2-benzyl-4-(benzylamino)-5-p-anisoyl-4-isothiazolin-3-one Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C(=O)N(S2)CC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C(=O)N(S2)CC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-30-21-14-12-20(13-15-21)23(28)24-22(26-16-18-8-4-2-5-9-18)25(29)27(31-24)17-19-10-6-3-7-11-19/h2-15,26H,16-17H2,1H3