S-(2-diethylaminoethyl) 4-(butylamino)benzenecarbothioate dihydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 4-(butylamino)benzenecarbothioate dihydrochloride Openeye Name: S-(2-diethylaminoethyl) 4-(butylamino)benzenecarbothioate dihydrochloride CAS Name: 4-(butylamino)benzenecarbothioic acid S-(2-diethylaminoethyl) ester dihydrochloride IUPAC Name: S-(2-diethylaminoethyl) 4-(butylamino)benzenecarbothioate dihydrochloride Traditional Name: 4-(butylamino)thiobenzoic acid S-(2-diethylaminoethyl) ester dihydrochloride Formula: C17H30Cl2N2OS MolecularWeight: 381.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)SCCN(CC)CC.Cl.Cl

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)SCCN(CC)CC.Cl.Cl

InChI

InChI=1S/C17H28N2OS.2ClH/c1-4-7-12-18-16-10-8-15(9-11-16)17(20)21-14-13-19(5-2)6-3;;/h8-11,18H,4-7,12-14H2,1-3H3;2*1H