4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-6-oxidanyl-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one

Systemtic Name: 4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-6-oxidanyl-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one Openeye Name: 4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one CAS Name: 4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one IUPAC Name: 4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one Traditional Name: 4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-1,4-thiazepin-5-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=CSC(C(C1=O)O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCN1C(=CSC(C(C1=O)O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-23(2)13-14-24-19(16-7-5-4-6-8-16)15-28-21(20(25)22(24)26)17-9-11-18(27-3)12-10-17/h4-12,15,20-21,25H,13-14H2,1-3H3