N-[(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)amino]ethyl]thiophene-2-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H22N4O4S/c1-14-23(30)28-19-12-16(8-9-21(19)33-14)27-24(31)20(29-25(32)22-7-4-10-34-22)11-15-13-26-18-6-3-2-5-17(15)18/h2-10,12-14,20,26H,11H2,1H3,(H,27,31)(H,28,30)(H,29,32)/t14?,20-/m0/s1