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

Systemtic Name: 1,1-diethyl-3-[(Z)-[2-oxidanylidene-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Openeye Name: 1,1-diethyl-3-[(Z)-[2-oxo-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indolin-3-ylidene]amino]thiourea CAS Name: 1,1-diethyl-3-[(Z)-[2-oxo-1-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-indolylidene]amino]thiourea IUPAC Name: 1,1-diethyl-3-[(Z)-[2-oxo-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Traditional Name: 1,1-diethyl-3-[(Z)-[2-keto-1-[[4-(2-pyrimidyl)piperazino]methyl]indolin-3-ylidene]amino]thiourea Formula: C22H28N8OS MolecularWeight: 452.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NN=C1C2=CC=CC=C2N(C1=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H28N8OS/c1-3-28(4-2)22(32)26-25-19-17-8-5-6-9-18(17)30(20(19)31)16-27-12-14-29(15-13-27)21-23-10-7-11-24-21/h5-11H,3-4,12-16H2,1-2H3,(H,26,32)/b25-19-