N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C29H21BrN6O2S2 MolecularWeight: 629.55004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)Br)SCC(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)Br)SCC(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H21BrN6O2S2/c30-19-12-14-20(15-13-19)36-25(16-31-27(38)22-9-5-7-18-6-1-2-8-21(18)22)34-35-29(36)39-17-26(37)33-28-32-23-10-3-4-11-24(23)40-28/h1-15H,16-17H2,(H,31,38)(H,32,33,37)