1-benzothiophen-2-yl N-[1-[(1-azanyl-3-phenyl-propan-2-yl)carbamoyl]cyclohexyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[(1-azanyl-3-phenyl-propan-2-yl)carbamoyl]cyclohexyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[[1-(aminomethyl)-2-phenyl-ethyl]carbamoyl]cyclohexyl]carbamate CAS Name: N-[1-[[(1-amino-3-phenylpropan-2-yl)amino]-oxomethyl]cyclohexyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[(1-amino-3-phenylpropan-2-yl)carbamoyl]cyclohexyl]carbamate Traditional Name: N-[1-[[1-(aminomethyl)-2-phenyl-ethyl]carbamoyl]cyclohexyl]carbamic acid benzothiophen-2-yl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(CC2=CC=CC=C2)CN)NC(=O)OC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)(C(=O)NC(CC2=CC=CC=C2)CN)NC(=O)OC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O3S/c26-17-20(15-18-9-3-1-4-10-18)27-23(29)25(13-7-2-8-14-25)28-24(30)31-22-16-19-11-5-6-12-21(19)32-22/h1,3-6,9-12,16,20H,2,7-8,13-15,17,26H2,(H,27,29)(H,28,30)