1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C21H22ClN3O2S/c1-15-6-7-16(22)14-18(15)23-10-12-24(13-11-23)20(26)8-9-25-17-4-2-3-5-19(17)27-21(25)28/h2-7,14H,8-13H2,1H3