4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(p-tolyl)-3-(3-pyridylmethyl)thiazol-2-imine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-(4-methylphenyl)-3-(3-pyridinylmethyl)-2-thiazolimine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-pyridylmethyl)-4-thiazolin-2-ylidene]-(p-tolyl)amine Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H30N4O2S2/c1-22-8-12-25(13-9-22)30-28-32(20-23-7-6-16-29-19-23)27(21-35-28)24-10-14-26(15-11-24)36(33,34)31-17-4-2-3-5-18-31/h6-16,19,21H,2-5,17-18,20H2,1H3