2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(1-azepanylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]butyramide Formula: C19H28N6O3S2 MolecularWeight: 452.59402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=NN=C3SC)N

InChI

InChI=1S/C19H28N6O3S2/c1-3-16(25-18(20)22-23-19(25)29-2)17(26)21-14-8-10-15(11-9-14)30(27,28)24-12-6-4-5-7-13-24/h8-11,16H,3-7,12-13H2,1-2H3,(H2,20,22)(H,21,26)