(5-chloranylthiophen-2-yl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]ammonium Formula: C18H21ClN3O4S3+ MolecularWeight: 475.02504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Cl)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Cl)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C18H20ClN3O4S3/c1-20(11-13-2-5-17(19)28-13)12-22-15-10-14(3-4-16(15)26-18(22)27)29(23,24)21-6-8-25-9-7-21/h2-5,10H,6-9,11-12H2,1H3/p+1