1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-phenyl-urea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-phenyl-urea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-phenyl-urea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-phenylurea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-phenylurea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-phenyl-urea Formula: C16H15N5O2S MolecularWeight: 341.3876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15N5O2S/c22-14(20-21-15(23)18-11-6-2-1-3-7-11)10-17-16-19-12-8-4-5-9-13(12)24-16/h1-9H,10H2,(H,17,19)(H,20,22)(H2,18,21,23)