N-[bis(4-dimethylaminophenyl)methylidene]-4-(thiophen-2-ylsulfonylamino)benzamide hydrate hydrochloride

Systemtic Name: N-[bis(4-dimethylaminophenyl)methylidene]-4-(thiophen-2-ylsulfonylamino)benzamide hydrate hydrochloride Openeye Name: N-[bis(4-dimethylaminophenyl)methylene]-4-(2-thienylsulfonylamino)benzamide hydrate hydrochloride CAS Name: N-[bis(4-dimethylaminophenyl)methylidene]-4-(thiophen-2-ylsulfonylamino)benzamide hydrate hydrochloride IUPAC Name: N-[bis(4-dimethylaminophenyl)methylidene]-4-(thiophen-2-ylsulfonylamino)benzamide hydrate hydrochloride Traditional Name: N-[bis(4-dimethylaminophenyl)methylene]-4-(2-thienylsulfonylamino)benzamide hydrate hydrochloride Formula: C28H31ClN4O4S2 MolecularWeight: 587.15314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C4=CC=C(C=C4)N(C)C.O.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C4=CC=C(C=C4)N(C)C.O.Cl

InChI

InChI=1S/C28H28N4O3S2.ClH.H2O/c1-31(2)24-15-9-20(10-16-24)27(21-11-17-25(18-12-21)32(3)4)29-28(33)22-7-13-23(14-8-22)30-37(34,35)26-6-5-19-36-26;;/h5-19,30H,1-4H3;1H;1H2