S-[[2-methyl-3-[2-[methyl(quinazolin-5-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] 4-phenylpiperazine-1-carbothioate

Systemtic Name: S-[[2-methyl-3-[2-[methyl(quinazolin-5-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] 4-phenylpiperazine-1-carbothioate Openeye Name: S-[[2-methyl-3-[2-[methyl(quinazolin-5-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] 4-phenylpiperazine-1-carbothioate CAS Name: 4-phenyl-1-piperazinecarbothioic acid S-[[2-methyl-3-[2-[methyl(5-quinazolinylmethyl)amino]ethyl]-1H-indol-5-yl]amino] ester IUPAC Name: S-[[2-methyl-3-[2-[methyl(quinazolin-5-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] 4-phenylpiperazine-1-carbothioate Traditional Name: 4-phenylpiperazine-1-carbothioic acid S-[[2-methyl-3-[2-[methyl(quinazolin-5-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] ester Formula: C32H35N7OS MolecularWeight: 565.7316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCN(CC3)C4=CC=CC=C4)CCN(C)CC5=C6C=NC=NC6=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCN(CC3)C4=CC=CC=C4)CCN(C)CC5=C6C=NC=NC6=CC=C5

InChI

InChI=1S/C32H35N7OS/c1-23-27(13-14-37(2)21-24-7-6-10-30-29(24)20-33-22-34-30)28-19-25(11-12-31(28)35-23)36-41-32(40)39-17-15-38(16-18-39)26-8-4-3-5-9-26/h3-12,19-20,22,35-36H,13-18,21H2,1-2H3