N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide Formula: C18H21N7O3S MolecularWeight: 415.46944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2

InChI

InChI=1S/C18H21N7O3S/c1-11(2)9-14(16(27)20-8-7-19)23-15(26)12-3-5-13(6-4-12)22-17(28)24-18-25-21-10-29-18/h3-6,10-11,14H,8-9H2,1-2H3,(H,20,27)(H,23,26)(H2,22,24,25,28)