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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(tetrahydrofuran-2-ylmethylcarbamoyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-(tetrahydrofurfurylcarbamoyl)propyl]-9H-$b-carboline-3-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCCO1)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1CCCO1)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O3S/c1-30-10-8-18(21(27)24-12-14-5-4-9-29-14)26-22(28)19-11-16-15-6-2-3-7-17(15)25-20(16)13-23-19/h2-3,6-7,11,13-14,18,25H,4-5,8-10,12H2,1H3,(H,24,27)(H,26,28)/t14?,18-/m0/s1