2-(aminocarbonylamino)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methylsulfanyl-butanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(carbamoylamino)-4-(methylthio)butanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)NC(=O)N

InChI

InChI=1S/C20H22N4O2S2/c1-27-11-10-16(24-20(21)26)19(25)22-14-8-6-13(7-9-14)12-18-23-15-4-2-3-5-17(15)28-18/h2-9,16H,10-12H2,1H3,(H,22,25)(H3,21,24,26)