1-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-methyl-N-[3-methylsulfanyl-1-(tetrahydrofuran-2-ylmethylcarbamoyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-methyl-N-[4-(methylthio)-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-methyl-N-[4-methylsulfanyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-methyl-N-[3-(methylthio)-1-(tetrahydrofurfurylcarbamoyl)propyl]-9H-$b-carboline-3-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)NCC3CCCO3)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)NCC3CCCO3)C4=CC=CC=C4N2

InChI

InChI=1S/C23H28N4O3S/c1-14-21-17(16-7-3-4-8-18(16)26-21)12-20(25-14)23(29)27-19(9-11-31-2)22(28)24-13-15-6-5-10-30-15/h3-4,7-8,12,15,19,26H,5-6,9-11,13H2,1-2H3,(H,24,28)(H,27,29)