N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(propan-2-ylcarbamothioylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(propan-2-ylcarbamothioylamino)propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(isopropylcarbamothioylamino)propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(propan-2-ylcarbamothioylamino)propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-(isopropylthiocarbamoylamino)propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CC(C)NC(=S)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C17H21N5OS/c1-11(2)21-17(24)22-15(16(23)19-8-7-18)9-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20H,8-9H2,1-2H3,(H,19,23)(H2,21,22,24)