N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-yl-propyl]phenyl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-yl-propyl]phenyl]-1,3-benzothiazol-2-amine Openeye Name: N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-yl-propyl]phenyl]-1,3-benzothiazol-2-amine CAS Name: N-[4-[(1S,2S)-2-(dimethylamino)-1-(1-imidazolyl)propyl]phenyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-ylpropyl]phenyl]-1,3-benzothiazol-2-amine Traditional Name: [(1S,2S)-2-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-imidazol-1-yl-1-methyl-ethyl]-dimethyl-amine Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=CN=C4)N(C)C

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=CN=C4)N(C)C

InChI

InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1