4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphanium

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphanium Openeye Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphonium CAS Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphonium IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphanium Traditional Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethoxy]-3-(2-chloroethyl)benzoyl bromide; methyl(triphenyl)phosphonium Formula: C37H32BrClN2O3PS+ MolecularWeight: 731.057341

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Descriptors Computed from Structure

Canonical SMILES:

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3)C(=O)Br)CCCl

Isomeric SMILES

C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3)C(=O)Br)CCCl

InChI

InChI=1S/C19H18P.C18H14BrClN2O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;19-17(24)12-5-6-14(11(9-12)7-8-20)25-10-16(23)22-18-21-13-3-1-2-4-15(13)26-18/h2-16H,1H3;1-6,9H,7-8,10H2,(H,21,22,23)/q+1;