2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl-ethyl-amino]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl-ethyl-amino]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl-ethyl-amino]-N-tert-butyl-acetamide CAS Name: 2-[[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]-oxomethyl]-ethylamino]-N-tert-butylacetamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl-ethylamino]-N-tert-butylacetamide Traditional Name: 2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl-ethyl-amino]-N-tert-butyl-acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)(C)C)C(=O)NCC1=CC=C(O1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC(=O)NC(C)(C)C)C(=O)NCC1=CC=C(O1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H26N4O3S/c1-5-25(13-18(26)24-21(2,3)4)20(27)22-12-14-10-11-16(28-14)19-23-15-8-6-7-9-17(15)29-19/h6-11H,5,12-13H2,1-4H3,(H,22,27)(H,24,26)