3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(ethylcarbamothioylamino)propanamide

Systemtic Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(ethylcarbamothioylamino)propanamide Openeye Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(ethylcarbamothioylamino)propanamide CAS Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-[[ethylamino(sulfanylidene)methyl]amino]propanamide IUPAC Name: 3-(1-benzothiophen-3-yl)-N-(cyanomethyl)-2-(ethylcarbamothioylamino)propanamide Traditional Name: 3-(benzothiophen-3-yl)-N-(cyanomethyl)-2-(ethylthiocarbamoylamino)propionamide Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS2/c1-2-18-16(22)20-13(15(21)19-8-7-17)9-11-10-23-14-6-4-3-5-12(11)14/h3-6,10,13H,2,8-9H2,1H3,(H,19,21)(H2,18,20,22)