tert-butyl N-[(4-iodophenyl)carbamoyl-propyl-amino]-N-(3-isocyanophenyl)carbamate

Systemtic Name: tert-butyl N-[(4-iodophenyl)carbamoyl-propyl-amino]-N-(3-isocyanophenyl)carbamate Openeye Name: tert-butyl N-[(4-iodophenyl)carbamoyl-propyl-amino]-N-(3-isocyanophenyl)carbamate CAS Name: N-[[(4-iodoanilino)-oxomethyl]-propylamino]-N-(3-isocyanophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-iodophenyl)carbamoyl-propylamino]-N-(3-isocyanophenyl)carbamate Traditional Name: N-[(4-iodophenyl)carbamoyl-propyl-amino]-N-(3-isocyanophenyl)carbamic acid tert-butyl ester Formula: C22H25IN4O3 MolecularWeight: 520.36337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC1=CC=C(C=C1)I)N(C2=CC=CC(=C2)[N+]#[C-])C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(C(=O)NC1=CC=C(C=C1)I)N(C2=CC=CC(=C2)[N+]#[C-])C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25IN4O3/c1-6-14-26(20(28)25-17-12-10-16(23)11-13-17)27(21(29)30-22(2,3)4)19-9-7-8-18(15-19)24-5/h7-13,15H,6,14H2,1-4H3,(H,25,28)