2-(aminocarbonylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methylsulfanyl-butanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-(methylthio)butanamide IUPAC Name: 2-(carbamoylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbutanamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-4-(methylthio)-2-ureido-butyramide Formula: C18H28N4O5S2 MolecularWeight: 444.56872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H28N4O5S2/c1-27-15-7-6-13(20-17(23)14(8-11-28-2)21-18(19)24)12-16(15)29(25,26)22-9-4-3-5-10-22/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,20,23)(H3,19,21,24)