S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-cyclopentylcarbamothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-cyclopentylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-cyclopentylcarbamothioate CAS Name: N-cyclopentylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-cyclopentylcarbamothioate Traditional Name: N-cyclopentylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

Isomeric SMILES

C1CCC(C1)NC(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

InChI

InChI=1S/C16H21N3O3S/c17-14(20)9-10-18-15(21)12-7-3-4-8-13(12)23-16(22)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,17,20)(H,18,21)(H,19,22)