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

Systemtic Name: N-[(2S)-1-[[3-(1,3-benzothiazol-2-yl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[3-(1,3-benzothiazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[3-(1,3-benzothiazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]-2-methyl-propyl]-2-furamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H21N3O3S/c1-14(2)20(26-21(27)18-10-6-12-29-18)22(28)24-16-8-5-7-15(13-16)23-25-17-9-3-4-11-19(17)30-23/h3-14,20H,1-2H3,(H,24,28)(H,26,27)/t20-/m0/s1