S-[[3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] piperazine-1-carbothioate

Systemtic Name: S-[[3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] piperazine-1-carbothioate Openeye Name: S-[[3-[2-[7-isoquinolylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[3-[2-[7-isoquinolinylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] ester IUPAC Name: S-[[3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[[3-[2-[7-isoquinolylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]amino] ester Formula: C27H32N6OS MolecularWeight: 488.64758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCNCC3)CCN(C)CC4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCNCC3)CCN(C)CC4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C27H32N6OS/c1-19-24(8-12-32(2)18-20-3-4-21-7-9-29-17-22(21)15-20)25-16-23(5-6-26(25)30-19)31-35-27(34)33-13-10-28-11-14-33/h3-7,9,15-17,28,30-31H,8,10-14,18H2,1-2H3