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

Systemtic Name: 4-pentan-3-ylsulfonyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(1-ethylpropylsulfonyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-4-pentan-3-ylsulfonylbenzamide IUPAC Name: 4-pentan-3-ylsulfonyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(1-ethylpropylsulfonyl)-N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S3/c1-3-16(4-2)32(28,29)17-12-10-14(11-13-17)18(27)23-20-25-26-21(31-20)24-19(30)22-15-8-6-5-7-9-15/h5-13,16H,3-4H2,1-2H3,(H,23,25,27)(H2,22,24,26,30)