N-[2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Systemtic Name: N-[2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-[2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide CAS Name: N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C27H20N4O5S2 MolecularWeight: 544.6015

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O5S2/c1-36-18-10-12-21(23(14-18)31(34)35)29-25(32)15-37-27-30-22-11-9-17(13-24(22)38-27)28-26(33)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,15H2,1H3,(H,28,33)(H,29,32)