tert-butyl N-[1-(3-azanyl-2-propyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(3-azanyl-2-propyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-yl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(3-amino-2-propyl-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamate CAS Name: N-[1-(3-amino-2-propyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-amino-2-propyl-4H-1,4-benzoxazin-6-yl)-1-thiophen-2-ylethyl]carbamate Traditional Name: N-[1-(3-amino-2-propyl-4H-1,4-benzoxazin-6-yl)-1-(2-thienyl)ethyl]carbamic acid tert-butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCC1=C(NC2=C(O1)C=CC(=C2)C(C)(C3=CC=CS3)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H29N3O3S/c1-6-8-17-19(23)24-15-13-14(10-11-16(15)27-17)22(5,18-9-7-12-29-18)25-20(26)28-21(2,3)4/h7,9-13,24H,6,8,23H2,1-5H3,(H,25,26)