5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(1S)-1-(1H-indol-3-ylmethyl)propyl]iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(2S)-1-(1H-indol-3-yl)butan-2-yl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(1S)-1-(1H-indol-3-ylmethyl)propyl]iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CNC2=CC=CC=C21)N=CC3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC[C@@H](CC1=CNC2=CC=CC=C21)N=CC3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H18N4O2S/c1-2-11(7-10-8-19-14-6-4-3-5-12(10)14)18-9-13-15(22)20-17(24)21-16(13)23/h3-6,8-9,11,13,19H,2,7H2,1H3,(H2,20,21,22,23,24)/t11-/m0/s1