N-[(2S)-4-methylsulfanyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[(5-methylthiazol-2-yl)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(2S)-1-[(5-methyl-2-thiazolyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1S)-1-[(5-methylthiazol-2-yl)carbamoyl]-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C(CCSC)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CN=C(S1)NC(=O)[C@H](CCSC)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H21N3O4S2/c1-11-9-19-18(27-11)21-16(22)12(7-8-26-2)20-17(23)15-10-24-13-5-3-4-6-14(13)25-15/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,20,23)(H,19,21,22)/t12-,15?/m0/s1