[3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [3-[(3-aminocarbonylthiophen-2-yl)amino]-3-oxidanylidene-propyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-carbamoyl-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-carbamoyl-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-carbamoylthiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-carbamoyl-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C17H19N4O2S2+ MolecularWeight: 375.48836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C(=O)N)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N4O2S2/c1-21(10-15-19-12-4-2-3-5-13(12)25-15)8-6-14(22)20-17-11(16(18)23)7-9-24-17/h2-5,7,9H,6,8,10H2,1H3,(H2,18,23)(H,20,22)/p+1