S-[[4-[2-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylamino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[4-[2-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylamino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[4-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[oxo-[4-[[2-[[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]amino]-4-pyridinyl]oxy]anilino]methyl]amino] ester IUPAC Name: S-[[4-[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[4-[[2-[(4-pyrrolidinopiperidine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C30H34N6O4S MolecularWeight: 574.69376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC=C(C=C4)NC(=O)NSC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC=C(C=C4)NC(=O)NSC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O4S/c37-28(20-22-6-2-1-3-7-22)41-34-29(38)32-23-8-10-25(11-9-23)40-26-12-15-31-27(21-26)33-30(39)36-18-13-24(14-19-36)35-16-4-5-17-35/h1-3,6-12,15,21,24H,4-5,13-14,16-20H2,(H,31,33,39)(H2,32,34,38)