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

Systemtic Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] N,N-dimethylcarbamothioate Openeye Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic 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]] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[[5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-24(2)14-15-26-18-8-6-7-9-19(18)31-21(16-10-12-17(28-5)13-11-16)20(22(26)27)29-23(30)25(3)4/h6-13,20-21H,14-15H2,1-5H3