1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-benzyl-1-methyl-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c1-19(10-11-5-3-2-4-6-11)16(23)18-15-17-13-8-7-12(20(21)22)9-14(13)24-15/h2-9H,10H2,1H3,(H,17,18,23)