1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S2/c21-20(22)12-7-5-11(6-8-12)18-16(23)17-10-9-15-19-13-3-1-2-4-14(13)24-15/h1-8H,9-10H2,(H2,17,18,23)