4-(1,3-benzothiazol-2-yl)aniline; 2,6-bis(azanyl)hexanamide; dihydrochloride

Systemtic Name: 4-(1,3-benzothiazol-2-yl)aniline; 2,6-bis(azanyl)hexanamide; dihydrochloride Openeye Name: 4-(1,3-benzothiazol-2-yl)aniline; 2,6-diaminohexanamide; dihydrochloride CAS Name: 4-(1,3-benzothiazol-2-yl)aniline; 2,6-diaminohexanamide; dihydrochloride IUPAC Name: 4-(1,3-benzothiazol-2-yl)aniline; 2,6-diaminohexanamide; dihydrochloride Traditional Name: [4-(1,3-benzothiazol-2-yl)phenyl]amine; 2,6-diaminohexanamide; dihydrochloride Formula: C19H27Cl2N5OS MolecularWeight: 444.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N.C(CCN)CC(C(=O)N)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N.C(CCN)CC(C(=O)N)N.Cl.Cl

InChI

InChI=1S/C13H10N2S.C6H15N3O.2ClH/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;7-4-2-1-3-5(8)6(9)10;;/h1-8H,14H2;5H,1-4,7-8H2,(H2,9,10);2*1H