O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] carbamothioate

Systemtic Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] carbamothioate Openeye Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] carbamothioate CAS Name: carbamothioic acid O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester IUPAC Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] carbamothioate Traditional Name: thiocarbamic acid O-[[5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=S)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=S)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S2/c1-23(2)12-13-24-16-6-4-5-7-17(16)29-19(18(20(24)25)27-21(22)28)14-8-10-15(26-3)11-9-14/h4-11,18-19H,12-13H2,1-3H3,(H2,22,28)