[1-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenyl]pyrrolidin-3-yl]methylcarbamic acid

Systemtic Name: [1-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenyl]pyrrolidin-3-yl]methylcarbamic acid Openeye Name: [1-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]pyrrolidin-3-yl]methylcarbamic acid CAS Name: [1-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]phenyl]-3-pyrrolidinyl]methylcarbamic acid IUPAC Name: [1-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]pyrrolidin-3-yl]methylcarbamic acid Traditional Name: [1-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]pyrrolidin-3-yl]methylcarbamic acid Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC1CNC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3O3S/c18-15-6-5-14(25-15)16(22)20-12-1-3-13(4-2-12)21-8-7-11(10-21)9-19-17(23)24/h1-6,11,19H,7-10H2,(H,20,22)(H,23,24)