N-[(2S)-3-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[(2-morpholino-1,3-benzothiazol-6-yl)carbamoyl]propyl]-2-furamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H24N4O4S/c1-13(2)18(24-19(26)16-4-3-9-29-16)20(27)22-14-5-6-15-17(12-14)30-21(23-15)25-7-10-28-11-8-25/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3,(H,22,27)(H,24,26)/t18-/m0/s1