N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-thiophen-2-yl-benzamide

Systemtic Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-thiophen-2-yl-benzamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxo-ethyl]-3-carbamimidoyl-N-(2-thienyl)benzamide CAS Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-thiophen-2-ylbenzamide IUPAC Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-thiophen-2-ylbenzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-keto-ethyl]-N-(2-thienyl)benzamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)CN)C(=O)CN(C2=CC=CS2)C(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)CN)C(=O)CN(C2=CC=CS2)C(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H29N5O2S/c1-26(18-9-7-15(13-23)8-10-18)19(28)14-27(20-6-3-11-30-20)22(29)17-5-2-4-16(12-17)21(24)25/h2-6,11-12,15,18H,7-10,13-14,23H2,1H3,(H3,24,25)