3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)propyl-dimethyl-azanium

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)propyl-dimethyl-azanium Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)propyl-dimethyl-ammonium CAS Name: 3-[[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)propyl-dimethylazanium Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)propyl-dimethyl-ammonium Formula: C15H24N3S2+ MolecularWeight: 310.50116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C15H23N3S2/c1-17(2)10-5-9-16-15(19)18-11-6-12-20-14-8-4-3-7-13(14)18/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,19)/p+1