5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-propyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(phenylsulfonyl)amino]-N-propyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-propyl-benzothiophene-2-carboxamide CAS Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]-N-propyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[benzenesulfonyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]-N-propyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[besyl-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]-N-propyl-benzothiophene-2-carboxamide Formula: C30H27N5O3S2 MolecularWeight: 569.69708

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CN=CN3CC4=CC=C(C=C4)C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27N5O3S2/c1-2-14-33-30(36)29-16-24-15-25(12-13-28(24)39-29)35(40(37,38)27-6-4-3-5-7-27)20-26-18-32-21-34(26)19-23-10-8-22(17-31)9-11-23/h3-13,15-16,18,21H,2,14,19-20H2,1H3,(H,33,36)