1,3-bis[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]urea

Systemtic Name: 1,3-bis[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]urea Openeye Name: 1,3-bis[3-[(2-nitropyrrol-1-yl)methyl]-2-thienyl]urea CAS Name: 1,3-bis[3-[(2-nitro-1-pyrrolyl)methyl]-2-thiophenyl]urea IUPAC Name: 1,3-bis[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]urea Traditional Name: 1,3-bis[3-[(2-nitropyrrol-1-yl)methyl]-2-thienyl]urea Formula: C19H16N6O5S2 MolecularWeight: 472.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)[N+](=O)[O-])CC2=C(SC=C2)NC(=O)NC3=C(C=CS3)CN4C=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=C1)[N+](=O)[O-])CC2=C(SC=C2)NC(=O)NC3=C(C=CS3)CN4C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O5S2/c26-19(20-17-13(5-9-31-17)11-22-7-1-3-15(22)24(27)28)21-18-14(6-10-32-18)12-23-8-2-4-16(23)25(29)30/h1-10H,11-12H2,(H2,20,21,26)