4-[[3-chloranyl-4-[2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride

Systemtic Name: 4-[[3-chloranyl-4-[2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride Openeye Name: 4-[[4-(2-benzylthiazol-4-yl)-3-chloro-phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxy-aniline hydrochloride CAS Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]-2,5-dimethoxyaniline hydrochloride IUPAC Name: 4-[[4-(2-benzyl-1,3-thiazol-4-yl)-3-chlorophenyl]iminomethyl]-N,N-bis(2-chloroethyl)-2,5-dimethoxyaniline hydrochloride Traditional Name: [4-[[4-(2-benzylthiazol-4-yl)-3-chloro-phenyl]iminomethyl]-2,5-dimethoxy-phenyl]-bis(2-chloroethyl)amine hydrochloride Formula: C29H29Cl4N3O2S MolecularWeight: 625.43646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NC2=CC(=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl)OC)N(CCCl)CCCl.Cl

Isomeric SMILES

COC1=CC(=C(C=C1C=NC2=CC(=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl)OC)N(CCCl)CCCl.Cl

InChI

InChI=1S/C29H28Cl3N3O2S.ClH/c1-36-27-17-26(35(12-10-30)13-11-31)28(37-2)15-21(27)18-33-22-8-9-23(24(32)16-22)25-19-38-29(34-25)14-20-6-4-3-5-7-20;/h3-9,15-19H,10-14H2,1-2H3;1H