4-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-keto-3-[4-(2-methyl-2-phenyl-propanoyl)piperazino]propyl]-1,4-benzothiazin-3-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O3S/c1-25(2,19-8-4-3-5-9-19)24(31)27-16-14-26(15-17-27)22(29)12-13-28-20-10-6-7-11-21(20)32-18-23(28)30/h3-11H,12-18H2,1-2H3