1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[3-(1,3-benzothiazol-2-yl)propanoylamino]thiourea Formula: C16H22N4OS2 MolecularWeight: 350.50208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H22N4OS2/c1-2-3-6-11-17-16(22)20-19-14(21)9-10-15-18-12-7-4-5-8-13(12)23-15/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,19,21)(H2,17,20,22)