1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

Systemtic Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Openeye Name: 1-[3-methyl-4-(m-tolyl)piperazin-1-yl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one CAS Name: 1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-propanone IUPAC Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Traditional Name: 1-[3-methyl-4-(m-tolyl)piperazino]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C22H25N3O2S/c1-16-6-5-7-18(14-16)24-13-12-23(15-17(24)2)21(26)10-11-25-19-8-3-4-9-20(19)27-22(25)28/h3-9,14,17H,10-13,15H2,1-2H3