1-(6-nitro-1,3-benzothiazol-2-yl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-prop-2-enylthiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C11H10N4O2S2 MolecularWeight: 294.3527

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O2S2/c1-2-5-12-10(18)14-11-13-8-4-3-7(15(16)17)6-9(8)19-11/h2-4,6H,1,5H2,(H2,12,13,14,18)