N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C21H22N6O3S3 MolecularWeight: 502.63278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S3/c28-18(15-9-11-17(12-10-15)33(29,30)27-13-5-2-6-14-27)23-20-25-26-21(32-20)24-19(31)22-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,23,25,28)(H2,22,24,26,31)