S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate

Systemtic Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate CAS Name: 4-(3-bromophenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-5,6-dimethyl-2-pyrazinyl)amino] ester IUPAC Name: S-[(3-methoxy-5,6-dimethylpyrazin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-bromophenyl)piperazine-1-carbothioic acid S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] ester Formula: C18H22BrN5O2S MolecularWeight: 452.36858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Br)OC)C

Isomeric SMILES

CC1=C(N=C(C(=N1)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Br)OC)C

InChI

InChI=1S/C18H22BrN5O2S/c1-12-13(2)21-17(26-3)16(20-12)22-27-18(25)24-9-7-23(8-10-24)15-6-4-5-14(19)11-15/h4-6,11H,7-10H2,1-3H3,(H,20,22)