1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[3-(diethylamino)propyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C15H21N5O2S2 MolecularWeight: 367.48954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O2S2/c1-3-19(4-2)9-5-8-16-14(23)18-15-17-12-7-6-11(20(21)22)10-13(12)24-15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17,18,23)