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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; 2,6-bis(azanyl)hexanamide; dihydrochloride Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; 2,6-diaminohexanamide; dihydrochloride CAS Name: 4-(1,3-benzothiazol-2-yl)-2-methylaniline; 2,6-diaminohexanamide; dihydrochloride IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-methylaniline; 2,6-diaminohexanamide; dihydrochloride Traditional Name: [4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]amine; 2,6-diaminohexanamide; dihydrochloride Formula: C20H29Cl2N5OS MolecularWeight: 458.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N.C(CCN)CC(C(=O)N)N.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N.C(CCN)CC(C(=O)N)N.Cl.Cl

InChI

InChI=1S/C14H12N2S.C6H15N3O.2ClH/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14;7-4-2-1-3-5(8)6(9)10;;/h2-8H,15H2,1H3;5H,1-4,7-8H2,(H2,9,10);2*1H