2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]ethanamide

Systemtic Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]ethanamide Openeye Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-[[[(2S)-butan-2-yl]amino]-oxomethyl]acetamide IUPAC Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide Traditional Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31

InChI

InChI=1S/C21H21N5O2S/c1-3-13(2)22-20(28)25-18(27)12-29-21-24-15-9-5-4-8-14(15)19-23-16-10-6-7-11-17(16)26(19)21/h4-11,13H,3,12H2,1-2H3,(H2,22,25,27,28)/t13-/m0/s1