1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-propyl-thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-propyl-thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-propyl-thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-propylthiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-propylthiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-propyl-thiourea Formula: C13H17N5OS2 MolecularWeight: 323.43698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H17N5OS2/c1-2-7-14-12(20)18-17-11(19)8-15-13-16-9-5-3-4-6-10(9)21-13/h3-6H,2,7-8H2,1H3,(H,15,16)(H,17,19)(H2,14,18,20)