4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S2/c25-28(26,20-10-9-18-7-4-8-19(18)15-20)24-13-11-23(12-14-24)21(27)22-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15H,4,7-8,11-14,16H2,(H,22,27)