1-(1,3-benzothiazol-2-ylmethyl)-3-[2-[(2-nitrophenyl)amino]ethyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[2-[(2-nitrophenyl)amino]ethyl]urea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[2-(2-nitroanilino)ethyl]urea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[2-(2-nitroanilino)ethyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[2-(2-nitroanilino)ethyl]urea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[2-(2-nitroanilino)ethyl]urea Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c23-17(20-11-16-21-13-6-2-4-8-15(13)26-16)19-10-9-18-12-5-1-3-7-14(12)22(24)25/h1-8,18H,9-11H2,(H2,19,20,23)