benzoic acid; N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Systemtic Name: benzoic acid; N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Openeye Name: benzoic acid; N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine CAS Name: benzoic acid; N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine IUPAC Name: benzoic acid; 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Traditional Name: (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propyl-amine; benzoic acid Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC2=C(C1)SC(=N2)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCNC1CCC2=C(C1)SC(=N2)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H17N3S.C7H6O2/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;8-7(9)6-4-2-1-3-5-6/h7,12H,2-6H2,1H3,(H2,11,13);1-5H,(H,8,9)