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

Systemtic Name: N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Openeye Name: N-[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide CAS Name: N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-1-naphthalenecarboxamide IUPAC Name: N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide Traditional Name: N-[2-[[2-keto-2-(p-anisidino)ethyl]thio]-1,3-benzothiazol-6-yl]-1-naphthamide Formula: C27H21N3O3S2 MolecularWeight: 499.60394

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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

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

InChI

InChI=1S/C27H21N3O3S2/c1-33-20-12-9-18(10-13-20)28-25(31)16-34-27-30-23-14-11-19(15-24(23)35-27)29-26(32)22-8-4-6-17-5-2-3-7-21(17)22/h2-15H,16H2,1H3,(H,28,31)(H,29,32)