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

Systemtic Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(propan-2-ylcarbamothioylamino)propanamide Openeye Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(isopropylcarbamothioylamino)propanamide CAS Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(propan-2-ylcarbamothioylamino)propanamide Traditional Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(isopropylthiocarbamoylamino)propionamide Formula: C17H20N4OS2 MolecularWeight: 360.4969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CC(C)NC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C17H20N4OS2/c1-11(2)20-17(23)21-14(16(22)19-8-7-18)9-12-10-24-15-6-4-3-5-13(12)15/h3-6,10-11,14H,8-9H2,1-2H3,(H,19,22)(H2,20,21,23)