N-[2-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Openeye Name: N-[2-[(1R)-1-[(4-bromophenyl)carbamoyl]propyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxy-benzamide CAS Name: N-[2-[[(2R)-1-(4-bromoanilino)-1-oxobutan-2-yl]thio]-1,3-benzothiazol-6-yl]-4-methoxybenzamide IUPAC Name: N-[2-[(2R)-1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-4-methoxybenzamide Traditional Name: N-[2-[[(1R)-1-[(4-bromophenyl)carbamoyl]propyl]thio]-1,3-benzothiazol-6-yl]-4-methoxy-benzamide Formula: C25H22BrN3O3S2 MolecularWeight: 556.49448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22BrN3O3S2/c1-3-21(24(31)27-17-8-6-16(26)7-9-17)33-25-29-20-13-10-18(14-22(20)34-25)28-23(30)15-4-11-19(32-2)12-5-15/h4-14,21H,3H2,1-2H3,(H,27,31)(H,28,30)/t21-/m1/s1