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

Systemtic Name: 4-heptan-4-ylsulfonyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]-4-(1-propylbutylsulfonyl)benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-4-heptan-4-ylsulfonylbenzamide IUPAC Name: 4-heptan-4-ylsulfonyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]-4-(1-propylbutylsulfonyl)benzamide Formula: C23H27N5O3S3 MolecularWeight: 517.68718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S3/c1-3-8-18(9-4-2)34(30,31)19-14-12-16(13-15-19)20(29)25-22-27-28-23(33-22)26-21(32)24-17-10-6-5-7-11-17/h5-7,10-15,18H,3-4,8-9H2,1-2H3,(H,25,27,29)(H2,24,26,28,32)