2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-(dimethylamino)-3-(1H-imidazol-5-yl)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CN=CN3)N(C)C)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC3=CN=CN3)N(C)C)OC

InChI

InChI=1S/C21H29N5O2S2/c1-21(2,28-5)8-9-29-20-25-16-7-6-14(11-18(16)30-20)24-19(27)17(26(3)4)10-15-12-22-13-23-15/h6-7,11-13,17H,8-10H2,1-5H3,(H,22,23)(H,24,27)