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

Systemtic Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-propylcarbamothioate Openeye Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-propylcarbamothioate CAS Name: N-propylcarbamothioic 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-propylcarbamothioate Traditional Name: N-propylthiocarbamic acid O-[[5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester Formula: C24H31N3O3S2 MolecularWeight: 473.65124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCNC(=S)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O3S2/c1-5-14-25-24(31)30-21-22(17-10-12-18(29-4)13-11-17)32-20-9-7-6-8-19(20)27(23(21)28)16-15-26(2)3/h6-13,21-22H,5,14-16H2,1-4H3,(H,25,31)