N-(2-aminophenyl)-4-[(3S)-3-(pyridin-3-ylmethylcarbamothioylamino)pyrrolidin-1-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[(3S)-3-(pyridin-3-ylmethylcarbamothioylamino)pyrrolidin-1-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[(3S)-3-(3-pyridylmethylcarbamothioylamino)pyrrolidin-1-yl]benzamide CAS Name: N-(2-aminophenyl)-4-[(3S)-3-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-1-pyrrolidinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[(3S)-3-(pyridin-3-ylmethylcarbamothioylamino)pyrrolidin-1-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[(3S)-3-(3-pyridylmethylthiocarbamoylamino)pyrrolidino]benzamide Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=S)NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1CN(C[C@H]1NC(=S)NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C24H26N6OS/c25-21-5-1-2-6-22(21)29-23(31)18-7-9-20(10-8-18)30-13-11-19(16-30)28-24(32)27-15-17-4-3-12-26-14-17/h1-10,12,14,19H,11,13,15-16,25H2,(H,29,31)(H2,27,28,32)/t19-/m0/s1