3-(aminocarbonylamino)-3-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 3-(m-tolyl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-3-(3-methylphenyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(carbamoylamino)-3-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 3-(m-tolyl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]-3-ureido-propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCC(C2=CC=CS2)N3CCCC3)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCC(C2=CC=CS2)N3CCCC3)NC(=O)N

InChI

InChI=1S/C21H28N4O2S/c1-15-6-4-7-16(12-15)17(24-21(22)27)13-20(26)23-14-18(19-8-5-11-28-19)25-9-2-3-10-25/h4-8,11-12,17-18H,2-3,9-10,13-14H2,1H3,(H,23,26)(H3,22,24,27)