1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[4-(diethylamino)butyl]-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2S2/c1-3-20(4-2)10-6-5-9-17-15(24)19-16-18-13-8-7-12(21(22)23)11-14(13)25-16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,17,18,19,24)