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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-nitrophenyl)urea CAS Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-nitrophenyl)urea Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S/c22-15(19-11-4-3-5-12(10-11)21(23)24)17-8-9-18-16-20-13-6-1-2-7-14(13)25-16/h1-7,10H,8-9H2,(H,18,20)(H2,17,19,22)