3-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-methoxycarbonylbenzothiophen-3-yl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-methoxycarbonyl-1-benzothiophen-3-yl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-carbomethoxybenzothiophen-3-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H22N3O2S2+ MolecularWeight: 352.49478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(SC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H21N3O2S2/c1-19(2)10-6-9-17-16(22)18-13-11-7-4-5-8-12(11)23-14(13)15(20)21-3/h4-5,7-8H,6,9-10H2,1-3H3,(H2,17,18,22)/p+1