carbamothioyl-diethyl-[(Z)-[2-oxidanylidene-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]azanium

Systemtic Name: carbamothioyl-diethyl-[(Z)-[2-oxidanylidene-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]azanium Openeye Name: carbamothioyl-diethyl-[(Z)-[2-oxo-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indolin-3-ylidene]amino]ammonium CAS Name: carbamothioyl-diethyl-[(Z)-[2-oxo-1-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-indolylidene]amino]ammonium IUPAC Name: carbamothioyl-diethyl-[(Z)-[2-oxo-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]azanium Traditional Name: diethyl-[(Z)-[2-keto-1-[[4-(2-pyrimidyl)piperazino]methyl]indolin-3-ylidene]amino]-thiocarbamoyl-ammonium Formula: C22H29N8OS+ MolecularWeight: 453.58366

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(=S)N)N=C1C2=CC=CC=C2N(C1=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[N+](CC)(C(=S)N)/N=C\1/C2=CC=CC=C2N(C1=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N8OS/c1-3-30(4-2,21(23)32)26-19-17-8-5-6-9-18(17)29(20(19)31)16-27-12-14-28(15-13-27)22-24-10-7-11-25-22/h5-11H,3-4,12-16H2,1-2H3,(H-,23,32)/p+1/b26-19-