1-[2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]acetyl]amino]-3-phenyl-thiourea Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H26N4O3S/c1-27-19-8-7-16(13-17(19)15-25-9-11-28-12-10-25)14-20(26)23-24-21(29)22-18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)(H2,22,24,29)/p+1